AVPR1B

Summary

AVPR1B (arginine vasopressin receptor 1B, HGNC:896) is a protein-coding gene on chromosome 1q32.1, encoding Vasopressin V1b receptor (P47901). Receptor for arginine vasopressin.

The protein encoded by this gene acts as receptor for arginine vasopressin. This receptor belongs to the subfamily of G-protein coupled receptors which includes AVPR1A, V2R and OXT receptors. Its activity is mediated by G proteins which stimulate a phosphatidylinositol-calcium second messenger system. The receptor is primarily located in the anterior pituitary, where it stimulates ACTH release. It is expressed at high levels in ACTH-secreting pituitary adenomas as well as in bronchial carcinoids responsible for the ectopic ACTH syndrome. A spliced antisense transcript of this gene has been reported but its function is not known.

Source: NCBI Gene 553 — RefSeq curated summary.

At a glance

• Clinical variants (ClinVar): 94 total
• Druggable target: yes — 10 molecules with ChEMBL bioactivity
• MANE Select transcript: NM_000707

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:896
Approved symbol	AVPR1B
Name	arginine vasopressin receptor 1B
Location	1q32.1
Locus type	gene with protein product
Status	Approved
Aliases	V1bR, VPR3
Ensembl gene	ENSG00000198049
Ensembl biotype	protein_coding
OMIM	600264
Entrez	553

Gene structure

Transcript identifiers

Ensembl transcripts: 2 — 1 protein_coding, 1 protein_coding_CDS_not_defined

ENST00000367126, ENST00000612906

RefSeq mRNA: 1 — MANE Select: NM_000707 NM_000707

CCDS: CCDS73015

Canonical transcript exons

ENST00000367126 — 2 exons

Exon	Start	End
ENSE00001408059	206106936	206110523
ENSE00001443590	206115951	206117388

Expression profiles

Bgee: expression breadth broad, 53 present calls, max score 82.18.

FANTOM5 (CAGE): breadth tissue_specific, TPM avg 0.2419 / max 139.6761, expressed in 35 samples.

FANTOM5 promoters (1 alternative TSS)

Promoter ID	TPM avg	Samples expressed
17065	0.2419	35

Top tissues by expression

262 total, by Bgee expression score (0-100, higher = more expressed):

Tissue	Anatomy ID	Expression score	Quality
adenohypophysis	UBERON:0002196	82.18	gold quality
triceps brachii	UBERON:0001509	77.29	gold quality
gluteal muscle	UBERON:0002000	77.08	gold quality
endothelial cell	CL:0000115	75.42	silver quality
pituitary gland	UBERON:0000007	75.38	gold quality
tongue squamous epithelium	UBERON:0006919	75.22	gold quality
germinal epithelium of ovary	UBERON:0001304	73.98	gold quality
endometrium epithelium	UBERON:0004811	73.95	gold quality
olfactory bulb	UBERON:0002264	69.25	gold quality
type B pancreatic cell	CL:0000169	68.65	gold quality
Brodmann (1909) area 10	UBERON:0013541	67.58	gold quality
tibia	UBERON:0000979	67.24	gold quality
secondary oocyte	CL:0000655	66.96	silver quality
skeletal muscle tissue of biceps brachii	UBERON:0004502	66.64	gold quality
epithelium of esophagus	UBERON:0001976	65.56	gold quality
quadriceps femoris	UBERON:0001377	65.36	gold quality
vastus lateralis	UBERON:0001379	64.80	gold quality
middle temporal gyrus	UBERON:0002771	64.74	gold quality
Brodmann (1909) area 23	UBERON:0013554	64.60	gold quality
islet of Langerhans	UBERON:0000006	64.42	gold quality
Brodmann (1909) area 46	UBERON:0006483	64.29	gold quality
hair follicle	UBERON:0002073	64.25	gold quality
deltoid	UBERON:0001476	63.94	gold quality
cerebellar vermis	UBERON:0004720	63.55	gold quality
periodontal ligament	UBERON:0008266	63.55	silver quality
biceps brachii	UBERON:0001507	63.50	gold quality
frontal pole	UBERON:0002795	63.23	gold quality
middle frontal gyrus	UBERON:0002702	63.14	gold quality
paraflocculus	UBERON:0005351	62.89	gold quality
esophagus squamous epithelium	UBERON:0006920	62.88	gold quality

Single-cell (SCXA)

Detected in 1 experiment(s), a significant marker in 0.

Experiment	Marker?	Max mean expression
E-ANND-3	no	2.06

Regulation

Is transcription factor: no

miRNA regulators (miRDB)

11 targeting AVPR1B, top 30 by miRDB confidence (max_score; target_count = how many genes the miRNA targets in total — lower means more specific):

miRNA	Max score	Avg score	miRNA target_count
HSA-MIR-486-3P	99.51	66.82	1901
HSA-MIR-4441	99.49	66.56	3216
HSA-MIR-3922-3P	99.25	64.96	1136
HSA-MIR-3176	99.25	64.35	954
HSA-MIR-654-5P	96.07	66.18	1280
HSA-MIR-6726-5P	95.97	63.72	841
HSA-MIR-920	95.97	63.95	811
HSA-MIR-4300	95.85	64.56	1003
HSA-MIR-5591-5P	95.85	64.76	1002
HSA-MIR-5002-3P	95.75	67.04	542
HSA-MIR-4524B-3P	95.52	64.12	964

Literature-anchored findings (GeneRIF, showing 25)

• the presence of V1b receptors also found in human Langerhans islets could suggest hormonal control of AVP in human pancreas. (PMID:12736162)
• Data supports a protective effect of this major haplotype for recurrent major depression. (PMID:15094789)
• determination of a C-terminal motif required for export to plasma membrane (PMID:15528211)
• V1bR and CRHR1 can form constitutive homo- and heterodimers. (PMID:17318384)
• study found evidence to implicate the AVPR1B gene in the etiology of mood disorders, particularly in females (PMID:17909131)
• polymorphisms in the AVPR1B and the CRHR1 genes alter the susceptibility to panic disorder (PMID:18384079)
• AVPR1B is associated with autistic traits, empathy, and Asperger syndrome. (PMID:19598235)
• An association analysis with AVPR1b single-nucleotide polymorphism for attention deficit hyperactivity disorder, was performed in a patient/control sample. (PMID:19668115)
• polymorphism rs28536160 genotype TT of the AVPR1b gene may increase susceptibility for obtaining psychotic features in the course of bipolar disorder I. (PMID:22341483)
• This is the first report of a genetic association between vasopressin receptor 1B and child aggression. (PMID:22910476)
• The results of thi study showed that no association was found for alleles, genotypes, or haplotype analysis for AVPR1b genes and melancholic depression. (PMID:23068076)
• AVPR1B genetic variation has a role in suicide attempt etiology characterized by elevated depression levels. (PMID:23422793)
• Polymorphisms of CRHR1 and AVPR1b may modify susceptibility to mood disorders. (PMID:23962971)
• association between polymorphisms of AVPR1b gene and psychotic dimension.possible involvement of the AVPR1b gene in the etiology of psychotic features in the course of affective disorders (PMID:24012103)
• The associations of the AVP 1B receptor may be specific to reactive, emotional rather than proactive or callous types of aggression. (PMID:24842238)
• AA genotype of rs28418396 single-nucleotide polymorphism near the arginine vasopressin receptor 1b gene is associated with serious adverse events in patients with septic shock treated with vasopressin and norepinephrine. (PMID:24919159)
• Participants carrying both GG/GA variant of AVPR1b rs28373064 and AA variant of clock rs6832769 showed highest scores on the Emotional prosocial tendency measure. the clock gene and OXT/AVP systems are intertwined and contribute to human prosociality. (PMID:25309987)
• The association of AVPR1B G*A-haplotype (rs28632197 and rs33911258, respectively) and decreased Self-transcendence (TCI-125) was demonstrated in the total sample and in Udmurts. (PMID:25438555)
• The results suggest that the AVPR1B gene rs28373064 is linked to emotional empathy and prosociality. (PMID:26354157)
• Genetic variance of arginine vasopressin receptor 1B(AVPR1B) contributes to overweight and data indicate a link between AVPR1B variance and diabetes mellitus development (PMID:26503846)
• AVP 1b receptor contributes to the amygdaloid modulation of anxiety (PMID:29306965)
• Patients were different from those previously studied. We measured the expression of the pituitary-specific hormone genes and type 1 corticotrophin-releasing hormone and arginine vasopressin 1b receptors, by quantitative real-time polymerase chain reaction using TaqMan probes. (PMID:29979686)
• Responsiveness to DDAVP in Cushing’s disease is associated with USP8 mutations through enhancing AVPR1B promoter activity. (PMID:35451730)
• Physical activity associates empathy in Japanese young adults with specific gene variations of oxytocin receptor and vasopressin V1B receptor. (PMID:35905808)
• Correlation Between Sleep Electroencephalogram, Brain-Derived Neurotrophic Factor, AVPR1B Gene Polymorphism, and Suicidal Behavior in Patients with Depression. (PMID:36367618)

Cross-species orthologs

3 orthologs

Organism	Symbol	Gene ID
mus_musculus	Avpr1b	ENSMUSG00000026432
rattus_norvegicus	Avpr1b	ENSRNOG00000048522
drosophila_melanogaster	CCAP-R	FBGN0039396

Paralogs (16): NPFFR2 (ENSG00000056291), GNRHR (ENSG00000109163), CCKBR (ENSG00000110148), HCRTR1 (ENSG00000121764), AVPR2 (ENSG00000126895), GALR3 (ENSG00000128310), HCRTR2 (ENSG00000137252), NPFFR1 (ENSG00000148734), CCKAR (ENSG00000163394), AVPR1A (ENSG00000166148), GALR1 (ENSG00000166573), GPR22 (ENSG00000172209), GPR150 (ENSG00000178015), OXTR (ENSG00000180914), FFAR4 (ENSG00000186188), QRFPR (ENSG00000186867)

Protein

Protein identifiers

Vasopressin V1b receptor — P47901 (reviewed: P47901)

Alternative names: AVPR V1b, AVPR V3, Antidiuretic hormone receptor 1b, Vasopressin V3 receptor

All UniProt accessions (1): P47901

UniProt curated annotations — full annotation on UniProt →

Function. Receptor for arginine vasopressin. The activity of this receptor is mediated by G proteins which activate a phosphatidyl-inositol-calcium second messenger system. (Microbial infection) During SARS coronavirus-2/SARS-CoV-2 infection, may recognize and internalize the complex formed by AVP/Arg-vasopressin, SARS-CoV-2 spike protein and secreted ACE2 through DNM2/dynamin 2-dependent endocytosis.

Subcellular location. Cell membrane.

Similarity. Belongs to the G-protein coupled receptor 1 family. Vasopressin/oxytocin receptor subfamily.

RefSeq proteins (1): NP_000698* (*=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR000276	GPCR_Rhodpsn	Family
IPR000628	Vprs_rcpt_V1B	Family
IPR001817	Vasoprsn_rcpt	Family
IPR015076	V1R_C	Domain
IPR017452	GPCR_Rhodpsn_7TM	Domain

Pfam: PF00001

UniProt features (27 total): topological domain 8, transmembrane region 7, sequence variant 5, region of interest 2, compositionally biased region 2, chain 1, glycosylation site 1, disulfide bond 1

Structure

Experimental structures (PDB)

0 structures.

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-P47901-F1	74.18	0.42

Functional residue map

Curated UniProt residues grouped by drug-discovery relevance — catalytic, ligand-binding, modification, and mutation-validated positions. Source: UniProtKB sequence features.

Disulfide bonds (1): 107–186

Glycosylation sites (1): 21

Function

Pathways and Gene Ontology

Reactome pathways

3 pathways

ID	Pathway
R-HSA-388479	Vasopressin-like receptors
R-HSA-416476	G alpha (q) signalling events
R-HSA-5619099	Defective AVP does not bind AVPR1A,B and causes neurohypophyseal diabetes insipidus (NDI)

MSigDB gene sets: 158 (showing top): BENPORATH_ES_WITH_H3K27ME3, GOBP_REGULATION_OF_ICOSANOID_SECRETION, GOBP_REGULATION_OF_BLOOD_PRESSURE, YAGI_AML_WITH_INV_16_TRANSLOCATION, GOBP_CIRCULATORY_SYSTEM_PROCESS, GOBP_REGULATION_OF_ORGANIC_ACID_TRANSPORT, CMYB_01, MODULE_64, GOBP_INOSITOL_PHOSPHATE_METABOLIC_PROCESS, GOBP_POLYOL_METABOLIC_PROCESS, GOBP_REGULATION_OF_SYSTEMIC_ARTERIAL_BLOOD_PRESSURE, GOBP_POSITIVE_REGULATION_OF_MAPK_CASCADE, GOBP_ORGANOPHOSPHATE_METABOLIC_PROCESS, MODULE_16, GOBP_POSITIVE_REGULATION_OF_ALCOHOL_BIOSYNTHETIC_PROCESS

GO Biological Process (14): regulation of systemic arterial blood pressure by vasopressin (GO:0001992), G protein-coupled receptor signaling pathway (GO:0007186), phospholipase C-activating G protein-coupled receptor signaling pathway (GO:0007200), positive regulation of cytosolic calcium ion concentration (GO:0007204), cellular response to hormone stimulus (GO:0032870), regulation of cell population proliferation (GO:0042127), positive regulation of MAPK cascade (GO:0043410), positive regulation of vasoconstriction (GO:0045907), symbiont entry into host cell (GO:0046718), positive regulation of inositol phosphate biosynthetic process (GO:0060732), positive regulation of arachidonate secretion (GO:0090238), transport across blood-brain barrier (GO:0150104), signal transduction (GO:0007165), regulation of blood pressure (GO:0008217)

GO Molecular Function (4): vasopressin receptor activity (GO:0005000), protein kinase C binding (GO:0005080), G protein-coupled receptor activity (GO:0004930), G protein-coupled peptide receptor activity (GO:0008528)

GO Cellular Component (4): endosome (GO:0005768), Golgi apparatus (GO:0005794), plasma membrane (GO:0005886), membrane (GO:0016020)

Reactome top-level categories

Rollup of top-3 pathways:

Category	Pathways
Peptide ligand-binding receptors	1
GPCR downstream signalling	1
SLC transporter disorders	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
G protein-coupled receptor activity	2
G protein-coupled receptor signaling pathway	2
regulation of biological quality	2
regulation of cellular process	2
endomembrane system	2
regulation of systemic arterial blood pressure by hormone	1
signal transduction	1
phospholipase C activator activity	1
response to hormone	1
cellular response to chemical stimulus	1
cellular response to endogenous stimulus	1
cell population proliferation	1
MAPK cascade	1
regulation of MAPK cascade	1
positive regulation of intracellular signal transduction	1
regulation of vasoconstriction	1
vasoconstriction	1
positive regulation of multicellular organismal process	1
viral life cycle	1
symbiont entry into host	1
positive regulation of phosphorus metabolic process	1
regulation of inositol phosphate biosynthetic process	1
inositol phosphate biosynthetic process	1
positive regulation of carbohydrate metabolic process	1
positive regulation of alcohol biosynthetic process	1
positive regulation of icosanoid secretion	1
arachidonate secretion	1
regulation of arachidonate secretion	1
vascular transport	1
cell communication	1
cellular process	1
signaling	1
cellular response to stimulus	1
blood circulation	1
G protein-coupled peptide receptor activity	1
protein kinase binding	1
transmembrane signaling receptor activity	1
peptide receptor activity	1
cytoplasmic vesicle	1
cytoplasm	1

Protein interactions and networks

STRING

818 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
AVPR1B	AVP	P01185	956
AVPR1B	CRHR1	P34998	888
AVPR1B	OXT	P01178	797
AVPR1B	POMC	P01189	790
AVPR1B	CRH	P06850	748
AVPR1B	GIPR	P48546	665
AVPR1B	CRHR2	Q13324	557
AVPR1B	LHCGR	P22888	551
AVPR1B	GIP	P09681	537
AVPR1B	PRL	P01236	511
AVPR1B	NPS	P0C0P6	500
AVPR1B	GNAQ	P50148	452
AVPR1B	OR1A1	Q9P1Q5	451
AVPR1B	GRIN2B	Q13224	446
AVPR1B	DRD2	P14416	444

IntAct

6 interactions, top by confidence:

A	B	Type	Score
AVPR1B	RAMP1	psi-mi:“MI:0915”(physical association)	0.400
AVPR1B	RAMP3	psi-mi:“MI:0915”(physical association)	0.400
AVPR1B	KLRG2	psi-mi:“MI:0914”(association)	0.350

BioGRID (30): AVPR1B (Affinity Capture-Western), NDFIP1 (Affinity Capture-MS), ADCY9 (Affinity Capture-MS), PIK3CB (Affinity Capture-MS), PIK3R2 (Affinity Capture-MS), PTPRD (Affinity Capture-MS), MINK1 (Affinity Capture-MS), PLEKHB1 (Affinity Capture-MS), OSBPL8 (Affinity Capture-MS), LGR4 (Affinity Capture-MS), ABCC10 (Affinity Capture-MS), FMN2 (Affinity Capture-MS), FGFR1 (Affinity Capture-MS), EPHB4 (Affinity Capture-MS), PIK3R3 (Affinity Capture-MS)

ESM2 similar proteins: A5D7K8, O35932, O95136, O95977, P21731, P30557, P30987, P34972, P34978, P34979, P34980, P35375, P35408, P37289, P43088, P43114, P43115, P43116, P43117, P43118, P43119, P43252, P43253, P46069, P47752, P47901, P47936, P50131, P52592, P56486, P70263, P70597, P79393, Q13258, Q28691, Q28905, Q5R949, Q62053, Q62928, Q8MJ08

Diamond homologs: O02300, O08858, O42329, O77808, O88721, P0C0L6, P30518, P30559, P30560, P30938, P31391, P32306, P32307, P35346, P37288, P47901, P48043, P48044, P48974, P56449, P56494, P70536, P97926, Q00788, Q28756, Q56H79, Q5WA50, Q62463, Q6TAC8, Q75W84, Q7YW31, Q868T3, Q8BZP8, Q90252, Q90334, Q90352, Q9WTV8, Q9WTV9, Q9WU02, P08588

SIGNOR signaling

6 interactions.

A	Effect	B	Mechanism
AVPR1B	“up-regulates activity”	GNAS	binding
AVPR1B	“up-regulates activity”	GNAL	binding
AVPR1B	“up-regulates activity”	GNAI1	binding
AVPR1B	“up-regulates activity”	GNAI3	binding
AVPR1B	“up-regulates activity”	GNAQ	binding
vasopressin	“up-regulates activity”	AVPR1B	“chemical activation”

Disease & clinical

Clinical variants and AI predictions

ClinVar

94 variants total. Per-class counts are floors (≥ shown; pagination cap):

Classification	Count (floor)
Pathogenic	0
Likely pathogenic	0
Uncertain significance	84
Likely benign	9
Benign	0

Top pathogenic / likely-pathogenic (0)

SpliceAI

402 predictions. Top by Δscore:

Variant	Effect	Δscore
1:206116213:A:G	donor_gain	0.9900
1:206116214:GATCT:G	donor_gain	0.9900
1:206117220:G:GA	donor_gain	0.9800
1:206117221:T:TA	donor_gain	0.9600
1:206116209:G:GG	donor_gain	0.9500
1:206116357:A:AG	donor_gain	0.9400
1:206115946:AA:A	donor_loss	0.9300
1:206115948:G:GA	donor_loss	0.9300
1:206115949:GG:G	donor_loss	0.9300
1:206115951:AAGG:A	donor_loss	0.9300
1:206110484:G:A	acceptor_gain	0.9200
1:206116194:TC:T	donor_gain	0.9200
1:206116251:C:G	donor_gain	0.9200
1:206117222:G:T	donor_gain	0.9200
1:206110485:T:TA	acceptor_gain	0.9100
1:206117217:A:AA	donor_gain	0.9100
1:206117218:T:TA	donor_gain	0.9100
1:206115978:C:A	donor_gain	0.9000
1:206110527:T:TA	acceptor_gain	0.8800
1:206115981:G:GA	donor_gain	0.8700
1:206116210:T:TG	donor_gain	0.8700
1:206110522:G:GG	acceptor_gain	0.8500
1:206110523:A:AG	acceptor_gain	0.8500
1:206116206:A:AG	donor_gain	0.8500
1:206117256:G:GG	donor_gain	0.8500
1:206117257:A:AG	donor_gain	0.8500
1:206110522:G:GA	acceptor_loss	0.8400
1:206110523:AGAT:A	acceptor_loss	0.8400
1:206110524:TAG:T	acceptor_loss	0.8400
1:206110525:GTA:G	acceptor_loss	0.8400

AlphaMissense

2715 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
1:206116375:A:C	F172L	0.985
1:206116375:A:T	F172L	0.985
1:206116377:A:G	F172L	0.985
1:206116540:G:C	S117R	0.981
1:206116540:G:T	S117R	0.981
1:206116542:T:G	S117R	0.981
1:206116571:C:G	C107S	0.980
1:206116572:A:T	C107S	0.980
1:206116396:G:C	S165R	0.978
1:206116396:G:T	S165R	0.978
1:206116398:T:G	S165R	0.978
1:206116591:G:C	F100L	0.976
1:206116591:G:T	F100L	0.976
1:206116593:A:G	F100L	0.976
1:206110458:A:G	W336R	0.973
1:206110458:A:T	W336R	0.973
1:206116334:C:G	C186S	0.968
1:206116335:A:T	C186S	0.968
1:206116419:A:G	W158R	0.967
1:206116419:A:T	W158R	0.967
1:206110471:G:C	S331R	0.966
1:206110471:G:T	S331R	0.966
1:206110473:T:G	S331R	0.966
1:206116592:A:C	F100C	0.965
1:206116333:G:C	C186W	0.964
1:206116287:A:G	W202R	0.962
1:206116287:A:T	W202R	0.962
1:206116570:G:C	C107W	0.960
1:206116571:C:T	C107Y	0.957
1:206110470:A:G	C332R	0.956

dbSNP variants (sampled 300 via entrez): RS1000104893 (1:206112412 C>G), RS1000376164 (1:206118021 G>A), RS1000597293 (1:206108153 G>T), RS1001252337 (1:206112502 A>G), RS1001384322 (1:206107306 G>A), RS1001724916 (1:206112722 C>T), RS1002384680 (1:206118610 C>A,T), RS1002477876 (1:206118458 C>A,G,T), RS1003048116 (1:206108592 T>C), RS1003080643 (1:206108928 T>C), RS1003263148 (1:206115315 C>T), RS1003392061 (1:206110056 C>A,T), RS1005704550 (1:206116256 A>T), RS1006161024 (1:206117186 G>C,T), RS1006256175 (1:206116038 C>T)

Disease associations

OMIM: gene MIM:600264 | disease phenotypes:

GenCC curated gene-disease

Mondo (0):

Orphanet (0):

HPO phenotypes

0 total (0 of 0 shown, HPO-id order):

GWAS associations

0 associations (top):

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (3): CHEMBL1921 (SINGLE PROTEIN), CHEMBL2111456 (PROTEIN FAMILY), CHEMBL2363078 (PROTEIN FAMILY)

Molecules with ChEMBL bioactivity

10 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 54,892 (via chembl_molecule»patent_compound — counts attach to the compound, not the gene–compound relationship, so off-target/promiscuous molecules can dominate).

Molecule	Name	Phase	Patents
CHEMBL1429	DESMOPRESSIN	4	122
CHEMBL3301668	CARBETOCIN	4	1,721
CHEMBL373742	VASOPRESSIN	4	7,202
CHEMBL382301	ATOSIBAN	4	2,367
CHEMBL395429	OXYTOCIN	4	41,727
CHEMBL420762	MOZAVAPTAN	4	244
CHEMBL1817709	SELEPRESSIN	2	86
CHEMBL1819440	ORNIPRESSIN	2	1,274
CHEMBL4594444	PECAVAPTAN	2	48
CHEMBL582857	NELIVAPTAN	2	101

PharmGKB: 1 entry (VIP=true, CPIC=false)

GtoPdb / IUPHAR curated pharmacology

(IUPHAR/BPS Guide to Pharmacology — expert-curated)

Target class: gpcr — Vasopressin and oxytocin receptors

Most potent curated ligand interactions (40 total), top 25:

Ligand	Action	Affinity	Parameter
d[Leu4Lys8]VP	Full agonist	9.8	pKi
d[Cha4]AVP	Full agonist	9.7	pKi
[3H]AVP (human, mouse, rat)	Full agonist	9.6	pKd
vasopressin	Full agonist	9.5	pKi
dAVP	Full agonist	9.4	pKi
d[Leu4,Dap8]VP	Full agonist	9.4	pKi
nelivaptan	Antagonist	9.3	pKi
d[D-Phe2]AVP	Full agonist	9.3	pKi
d[Leu4]AVP	Full agonist	9.3	pKi
d[Cha4,Dab8]VP	Full agonist	9.1	pKi
[Val4]AVP	Full agonist	9.0	pKi
dVDAVP	Full agonist	9.0	pKi
[3H]d[Cha4]AVP	Full agonist	8.9	pKd
d[Cha4]LVP	Full agonist	8.7	pKi
OH-LVA	Antagonist	8.7	pKi
LVP	Full agonist	8.5	pKi
desmopressin	Full agonist	8.2	pKi
d[Pen1,Tyr(Me)2]AVP	Antagonist	8.2	pKi
arginine vasotocin	Full agonist	8.0	pKi
[Phaa1,D-Tyr(Me)2,Arg6,Tyr-NH29]AVP	Antagonist	8.0	pKi
d[D-Pal2]AVP	Full agonist	7.86	pKi
[Phaa1,D-Tyr2,Val4,Arg6,Arg-NH29]AVP	Antagonist	7.8	pKi
[Phaa1,D-Tyr(Et)2,Lys6,des-Gly9]AVP	Antagonist	7.5	pKi
relcovaptan	Antagonist	7.3	pKi
oxytocin	Full agonist	7.0	pKi

Binding affinities (BindingDB)

241 measured of 279 human assays (281 total across all organisms); most potent 50 below. Values come from heterogeneous assays and are not directly comparable.

Ligand	Measure	Value	Patent
2-[2-(3-chlorophenyl)-4-[4-(2-morpholin-4-ylpropyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide	IC50	0.16 nM	US-9522914: Azole derivative
(2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(furan-3-yl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho-[2,1-c]pyran-7-carboxylic acid methyl ester	EC50	0.3 nM
2-[5-(3-methoxyphenyl)-3-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propyl]phenyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide	IC50	0.43 nM	US-9522914: Azole derivative
2-[2-(3-chlorophenyl)-4-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide	IC50	0.49 nM	US-9522914: Azole derivative
CAS_50-56-6	KI	0.5 nM
2-[4-(3-chloro-4-fluorophenyl)-1-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propyl]phenyl]-5-oxo-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide	IC50	0.61 nM	US-9522914: Azole derivative
2-[2-(3-chlorophenyl)-4-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]imidazol-1-yl]-N-propan-2-ylacetamide	IC50	0.82 nM	US-9522914: Azole derivative
2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide	IC50	1 nM	US-9522914: Azole derivative
2-[5-(3-chlorophenyl)-3-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide	IC50	1.4 nM	US-9522914: Azole derivative
2-[5-(3-methoxyphenyl)-3-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide	IC50	1.4 nM	US-9522914: Azole derivative
2-[4-(3-chlorophenyl)-1-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propyl]phenyl]-5-oxo-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide	IC50	1.5 nM	US-9522914: Azole derivative
2-[5-(3-chlorophenyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide	IC50	2.2 nM	US-9522914: Azole derivative
N-tert-butyl-2-[5-(3-chlorophenyl)-3-[5-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-2-pyridinyl]-1,2,4-triazol-1-yl]acetamide	IC50	2.2 nM	US-9522914: Azole derivative
2-[5-(3-chlorophenyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]-2-oxoimidazol-1-yl]-N-propan-2-ylacetamide	IC50	2.2 nM	US-9522914: Azole derivative
2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]imidazol-1-yl]-N-propan-2-ylacetamide	IC50	2.4 nM	US-9522914: Azole derivative
N-tert-butyl-2-[4-(4-fluoro-3-methoxyphenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-5-oxo-1,2,4-triazol-3-yl]acetamide	IC50	2.5 nM	US-9522914: Azole derivative
2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]imidazol-1-yl]-N-propan-2-ylacetamide	IC50	2.6 nM	US-9522914: Azole derivative
2-[4-(4-fluoro-3-methoxyphenyl)-1-[3-methoxy-4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]-5-oxo-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide	IC50	2.7 nM	US-9522914: Azole derivative
2-[5-(3-chloro-4-fluorophenyl)-3-[5-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide	IC50	2.8 nM	US-9522914: Azole derivative
N-tert-butyl-2-[4-(3-chloro-4-fluorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-5-oxo-1,2,4-triazol-3-yl]acetamide	IC50	2.8 nM	US-9522914: Azole derivative
N-tert-butyl-2-[4-(3-chloro-4-fluorophenyl)-1-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]-5-oxo-1,2,4-triazol-3-yl]acetamide	IC50	2.9 nM	US-9522914: Azole derivative
2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-[2-(3-methylpyrrolidin-1-yl)ethyl]phenyl]imidazol-1-yl]-N-propan-2-ylacetamide	IC50	3.2 nM	US-9522914: Azole derivative
2-[5-(4-fluoro-3-methoxyphenyl)-3-[5-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide	IC50	3.3 nM	US-9522914: Azole derivative
2-[4-(3-chlorophenyl)-1-[3-methoxy-4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]-5-oxo-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide	IC50	3.3 nM	US-9522914: Azole derivative
2-[4-(3-chlorophenyl)-1-[5-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propyl]-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide	IC50	3.3 nM	US-9522914: Azole derivative
2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide	IC50	3.4 nM	US-9522914: Azole derivative
N-tert-butyl-2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-5-oxo-1,2,4-triazol-3-yl]acetamide	IC50	3.5 nM	US-9522914: Azole derivative
2-[2-(3-chlorophenyl)-4-[5-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide	IC50	3.6 nM	US-9522914: Azole derivative
2-[2-(3-chlorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide	IC50	3.7 nM	US-9522914: Azole derivative
2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide	IC50	3.7 nM	US-9522914: Azole derivative
2-[4-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide	IC50	3.9 nM	US-9522914: Azole derivative
2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylpropyl)phenyl]-5-oxo-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide	IC50	3.9 nM	US-9522914: Azole derivative
N-tert-butyl-2-[5-(3-methoxyphenyl)-3-[5-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-2-pyridinyl]-1,2,4-triazol-1-yl]acetamide	IC50	4.3 nM	US-9522914: Azole derivative
2-[4-(3-chlorophenyl)-2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide	IC50	4.3 nM	US-9522914: Azole derivative
2-[4-(3-chloro-4-fluorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-5-oxo-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide	IC50	4.4 nM	US-9522914: Azole derivative
N-tert-butyl-2-[4-(3-methoxyphenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-5-oxo-1,2,4-triazol-3-yl]acetamide	IC50	4.6 nM	US-9522914: Azole derivative
N-tert-butyl-2-[4-(3-chlorophenyl)-1-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]-5-oxo-1,2,4-triazol-3-yl]acetamide	IC50	4.7 nM	US-9522914: Azole derivative
N-tert-butyl-2-[5-(3-chlorophenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]acetamide	IC50	5.1 nM	US-9522914: Azole derivative
2-[5-(3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide	IC50	5.3 nM	US-9522914: Azole derivative
2-[4-(3-chloro-4-fluorophenyl)-1-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]-5-oxo-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide	IC50	5.3 nM	US-9522914: Azole derivative
3-(5-ethoxy-2-methoxyphenyl)-1-[(5-methoxy-2-pyridinyl)sulfonyl]-3-[6-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxo-3a,7a-dihydroindole-5-carbonitrile	KI	5.5 nM	US-9688678: Oxindole compounds carrying a nitrogen-bound spiro substituent and use thereof for treating vasopressin-related diseases
3-(5-ethoxy-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-[6-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxo-3a,7a-dihydroindole-5-carbonitrile	KI	5.5 nM	US-9688678: Oxindole compounds carrying a nitrogen-bound spiro substituent and use thereof for treating vasopressin-related diseases
3-(4-fluoro-2-methoxyphenyl)-1-[(5-methoxy-2-pyridinyl)sulfonyl]-3-[6-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxo-3a,7a-dihydroindole-5-carbonitrile	KI	5.5 nM	US-9688678: Oxindole compounds carrying a nitrogen-bound spiro substituent and use thereof for treating vasopressin-related diseases
3-(2-methoxyphenyl)-1-[(5-methoxy-2-pyridinyl)sulfonyl]-3-[6-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxo-3a,7a-dihydroindole-5-carbonitrile	KI	5.5 nM	US-9688678: Oxindole compounds carrying a nitrogen-bound spiro substituent and use thereof for treating vasopressin-related diseases
3-(2-methoxy-3-pyridinyl)-1-[(5-methoxy-2-pyridinyl)sulfonyl]-3-[6-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxo-3a,7a-dihydroindole-5-carbonitrile	KI	5.5 nM	US-9688678: Oxindole compounds carrying a nitrogen-bound spiro substituent and use thereof for treating vasopressin-related diseases
3-(5-ethoxy-2-methoxyphenyl)-1-[(5-methoxy-2-pyridinyl)sulfonyl]-3-[6-[1-(oxetan-3-yl)piperidin-4-yl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxo-3a,7a-dihydroindole-5-carbonitrile	KI	5.5 nM	US-9688678: Oxindole compounds carrying a nitrogen-bound spiro substituent and use thereof for treating vasopressin-related diseases
3-(2-methoxyphenyl)-1-[(5-methoxy-2-pyridinyl)sulfonyl]-3-[6-[1-(oxetan-3-yl)piperidin-4-yl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxo-3a,7a-dihydroindole-5-carbonitrile	KI	5.5 nM	US-9688678: Oxindole compounds carrying a nitrogen-bound spiro substituent and use thereof for treating vasopressin-related diseases
3-(2-methoxyphenyl)-1-[(5-methoxy-2-pyridinyl)sulfonyl]-3-[2-(4-methylpiperazin-1-yl)-2,6-diazaspiro[3.3]heptan-6-yl]-2-oxo-3a,7a-dihydroindole-5-carbonitrile	KI	5.5 nM	US-9688678: Oxindole compounds carrying a nitrogen-bound spiro substituent and use thereof for treating vasopressin-related diseases

ChEMBL bioactivities

967 potent at pChembl≥5 of 1005 total, top 50 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
10.52	Ki	0.03	nM	CHEMBL1779409
10.52	Ki	0.03	nM	CHEMBL1779410
10.40	Ki	0.04	nM	CHEMBL1779407
10.10	Ki	0.08	nM	CHEMBL1779406
9.80	IC50	0.16	nM	CHEMBL5984549
9.70	EC50	0.2	nM	OXYTOCIN
9.64	Ki	0.23	nM	CHEMBL268306
9.59	Ki	0.26	nM	CHEMBL1779408
9.54	Ki	0.29	nM	CHEMBL221436
9.43	Ki	0.37	nM	DESMOPRESSIN
9.43	Ki	0.37	nM	CHEMBL375324
9.38	Ki	0.42	nM	CHEMBL1790575
9.37	IC50	0.43	nM	CHEMBL5986752
9.37	Ki	0.43	nM	CHEMBL2369830
9.31	Ki	0.49	nM	VASOPRESSIN
9.31	IC50	0.49	nM	CHEMBL5837941
9.31	Ki	0.49	nM	CHEMBL375096
9.30	EC50	0.5	nM	CHEMBL4474284
9.28	Ki	0.52	nM	CHEMBL1765663
9.28	Ki	0.52	nM	CHEMBL2369836
9.22	Ki	0.6	nM	NELIVAPTAN
9.21	IC50	0.61	nM	CHEMBL5840894
9.21	Ki	0.61	nM	CHEMBL1765667
9.19	Ki	0.65	nM	CHEMBL1765664
9.17	Ki	0.68	nM	VASOPRESSIN
9.11	Ki	0.78	nM	CHEMBL2369845
9.10	EC50	0.8	nM	CHEMBL4458988
9.09	IC50	0.82	nM	CHEMBL5823243
9.09	Ki	0.81	nM	CHEMBL1779405
9.05	Ki	0.9	nM	CHEMBL4281098
9.00	IC50	1	nM	CHEMBL6032328
9.00	IC50	1	nM	CHEMBL1778961
9.00	Ki	1	nM	CHEMBL2369831
8.96	Ki	1.1	nM	CHEMBL4280894
8.92	Ki	1.2	nM	CHEMBL1765665
8.92	Ki	1.2	nM	CHEMBL1779417
8.92	Ki	1.2	nM	CHEMBL265858
8.92	Ki	1.2	nM	CHEMBL2369829
8.89	Ki	1.3	nM	CHEMBL4281098
8.89	Ki	1.3	nM	CHEMBL1765666
8.89	Ki	1.3	nM	CHEMBL1779420
8.89	Ki	1.3	nM	CHEMBL1779400
8.85	IC50	1.4	nM	CHEMBL5938782
8.85	IC50	1.4	nM	CHEMBL5794206
8.82	IC50	1.5	nM	CHEMBL5977933
8.82	EC50	1.5	nM	CHEMBL1765663
8.82	Ki	1.5	nM	CHEMBL2369839
8.77	Ki	1.7	nM	CHEMBL1765669
8.77	EC50	1.7	nM	CHEMBL1765664
8.77	Ki	1.7	nM	NELIVAPTAN

PubChem BioAssay actives

599 with measured affinity, of 940 total; 50 most potent distinct compounds. Largely complementary to BindingDB; screening values are coarse (µM, 4 dp), so sub-nM hits tie at the floor.

Compound	Assay	Type	Value	Unit
(2S)-1-[(3R)-5-chloro-3-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	<0.0001	uM
(2S)-1-[(3R)-5-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	<0.0001	uM
(2S)-1-[(3R)-5-chloro-3-[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	<0.0001	uM
vasopressin	1593565: Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method	ec50	<0.0001	uM
(2S)-1-[(3R)-5-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	0.0001	uM
Oxytocin	1591641: Agonist activity at human V1B receptor expressed in HEK293 cells assessed as intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method	ec50	0.0002	uM
(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4S,7R,10S,13R,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0002	uM
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0003	uM
(2S)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	0.0003	uM
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0004	uM
Desmopressin	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0004	uM
(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4S,7R,10S,13R,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0004	uM
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-butyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0004	uM
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-aminopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0005	uM
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-[4-(diaminomethylideneamino)butyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0005	uM
(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-N-[(4-fluorophenyl)methyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide	1593565: Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method	ec50	0.0005	uM
2-[[(2S)-6-amino-2-[[(2S)-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetic acid	593569: Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins	ki	0.0005	uM
2-[[(2S)-6-[(2-aminobenzoyl)amino]-2-[[(2S)-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetic acid	593569: Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins	ki	0.0006	uM
2-[[(2S)-6-(7-aminoheptanoylamino)-2-[[(2S)-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetic acid	593569: Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins	ki	0.0006	uM
(2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide	439089: Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter	ki	0.0006	uM
(3R,6S,9S,12S,15S,18S)-18-amino-6-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-[(4-fluorophenyl)methyl]-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carboxamide	1593565: Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method	ec50	0.0008	uM
(2S)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	0.0008	uM
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propyl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0008	uM
3-(6-chloro-2-ethoxy-3-pyridinyl)-1-[(5-methoxy-2-pyridinyl)sulfonyl]-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoindole-5-carbonitrile	1420065: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cell membranes after 60 mins by TopCount microplate scintillation counting method	ki	0.0009	uM
2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide	599043: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole cell binding assay	ic50	0.0010	uM
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0010	uM
N-[2-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide	216935: Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet	ic50	0.0010	uM
3-(6-chloro-2-ethoxy-3-pyridinyl)-1-[(5-methoxy-2-pyridinyl)sulfonyl]-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile	1420065: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cell membranes after 60 mins by TopCount microplate scintillation counting method	ki	0.0011	uM
dilithium;2-(3-amino-6-imino-5-sulfo-4-sulfonatoxanthen-9-yl)-5-[[(5S)-5-[[(2S)-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-6-(carboxymethylamino)-6-oxohexyl]carbamoyl]benzoate	593569: Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins	ki	0.0012	uM
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-(cyclohexylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0012	uM
(3R)-5-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	0.0012	uM
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-ethyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0012	uM
(3R)-5-chloro-3-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	0.0013	uM
2-[[(2S)-2-[[(2S)-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-6-(3-aminopropanoylamino)hexanoyl]amino]acetic acid	593569: Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins	ki	0.0013	uM
(2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	0.0013	uM
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7,10-bis(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0015	uM
2-[[(2S)-6-amino-2-[[(2S)-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-19-hydroxy-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetic acid	593569: Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins	ki	0.0017	uM
(2S)-1-[(4R,7S,10S,13S,16S)-10-(4-aminobutyl)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0018	uM
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0020	uM
(3R)-5-chloro-3-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	0.0020	uM
2-[2-(3-methoxyphenyl)-4-oxo-6-[3-(piperidin-1-ylmethyl)phenyl]quinazolin-3-yl]-N-propan-2-ylacetamide	599043: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole cell binding assay	ic50	0.0020	uM
3-(2-ethoxy-5-methoxyphenyl)-1-(5-methoxyquinolin-8-yl)sulfonyl-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile	1420065: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cell membranes after 60 mins by TopCount microplate scintillation counting method	ki	0.0020	uM
3-(2-ethoxy-5-methoxyphenyl)-1-[(5-methoxy-2-pyridinyl)sulfonyl]-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile	1420065: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cell membranes after 60 mins by TopCount microplate scintillation counting method	ki	0.0020	uM
(2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(4-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	0.0021	uM
N-tert-butyl-2-[3-(3-chlorophenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]acetamide	501916: Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobilization by FLPR assay	ic50	0.0025	uM
2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide	578500: Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay	ic50	0.0030	uM
N-[2-[4-[4-(dimethylamino)piperidin-1-yl]-4-oxobutoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide	216935: Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet	ic50	0.0030	uM
(2S)-1-[(4R,7S,10S,13S,16S)-10-(aminomethyl)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide	217360: Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors	ki	0.0034	uM
2-[[(2S)-2-[[(2S)-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-6-(11-aminoundecanoylamino)hexanoyl]amino]acetic acid	593569: Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins	ki	0.0037	uM
(2S)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide	598587: Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting	ki	0.0038	uM

CTD chemical–gene interactions

9 total (human), top 9 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
Benzo(a)pyrene	affects methylation	2
sodium arsenite	increases expression	1
1-(5-chloro-1-((2,4-dimethoxyphenyl)sulfonyl)-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl)-4-hydroxy-N,N-dimethyl-2-pyrrolidinecarboxamide	decreases activity	1
Acetamides	affects binding, decreases activity	1
Acetaminophen	decreases expression	1
Quinazolines	affects binding, decreases activity	1
Tobacco Smoke Pollution	decreases methylation	1
Valproic Acid	decreases expression, increases methylation	1
Endocannabinoids	affects binding, decreases reaction, increases activity	1

ChEMBL screening assays

124 unique, capped per target: 82 binding, 40 functional, 2 admet

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL1015246	Functional	Agonist activity at human vasopressin V1b receptor upto 10 uM by reporter gene assay	New benzylureas as a novel series of potent, nonpeptidic vasopressin V2 receptor agonists. — J Med Chem
CHEMBL1024624	Binding	Displacement of [3H]oxytocin from human vasopressin V1b receptor expressed in CHO cells by filtration binding assay	Discovery and optimization of highly ligand-efficient oxytocin receptor antagonists using structure-based drug design. — Bioorg Med Chem Lett
CHEMBL4325234	ADMET	Agonist activity at recombinant human V1b receptor expressed in RBL cells by calcium no wash plus assay	Engineering a Potent, Long-Acting, and Periphery-Restricted Oxytocin Receptor Agonist with Anorexigenic and Body Weight Reducing Effects. — J Med Chem

Cellosaurus cell lines

3 cell lines: 2 spontaneously immortalized cell line, 1 cancer cell line

First 10 cell lines (id-ordered, not curated):

Cellosaurus	Name	Category	Sex
CVCL_H508	CHO-K1/V1B	Spontaneously immortalized cell line	Female
CVCL_KW35	PathHunter CHO-K1 AVPR1B beta-arrestin	Spontaneously immortalized cell line	Female
CVCL_KZ77	PathHunter U2OS AVPR1B Activated GPCR Internalization	Cancer cell line	Female

Clinical trials (associated diseases)

0 trials via MONDO — disease-level, not drug-specific.