NMBR

Summary

NMBR (neuromedin B receptor, HGNC:7843) is a protein-coding gene on chromosome 6q24.1, encoding Neuromedin-B receptor (P28336). Receptor for neuromedin-B.

This gene encodes a 7-transmembrane G protein-coupled receptor that binds neuromedin B, which is a growth factor and mitogen for gastrointestinal epithelial tissue and for normal and neoplastic lung. This receptor may play a role in smooth muscle contraction, neuronal responses, and the regulation of cell growth. Antagonists of this receptor have a potential therapeutic use in inhibiting tumor cell growth. Polymorphisms in this gene may be associated with a susceptibility for schizophrenia. Alternative splicing of this gene results in multiple transcript variants.

Source: NCBI Gene 4829 — RefSeq curated summary.

At a glance

• GWAS associations: 7
• Clinical variants (ClinVar): 73 total
• Druggable target: yes — 1 molecules with ChEMBL bioactivity
• MANE Select transcript: NM_002511

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:7843
Approved symbol	NMBR
Name	neuromedin B receptor
Location	6q24.1
Locus type	gene with protein product
Status	Approved
Aliases	BB1, BB1R, BRS1
Ensembl gene	ENSG00000135577
Ensembl biotype	protein_coding
OMIM	162341
Entrez	4829

Gene structure

Transcript identifiers

Ensembl transcripts: 2 — 1 protein_coding, 1 protein_coding_CDS_not_defined

ENST00000258042, ENST00000480652

RefSeq mRNA: 3 — MANE Select: NM_002511 NM_001324307, NM_001324308, NM_002511

CCDS: CCDS5196

Canonical transcript exons

ENST00000258042 — 4 exons

Exon	Start	End
ENSE00000919346	142074484	142076049
ENSE00000919348	142078555	142078903
ENSE00000919350	142088237	142089321
ENSE00003916733	142147044	142147122

Expression profiles

Bgee: expression breadth broad, 82 present calls, max score 58.18.

FANTOM5 (CAGE): breadth tissue_specific, TPM avg 0.0712 / max 12.6304, expressed in 17 samples.

FANTOM5 promoters (1 alternative TSS)

Promoter ID	TPM avg	Samples expressed
75989	0.0712	17

Top tissues by expression

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

Tissue	Anatomy ID	Expression score	Quality
left testis	UBERON:0004533	58.18	gold quality
cortical plate	UBERON:0005343	58.05	gold quality
testis	UBERON:0000473	56.75	gold quality
metanephric glomerulus	UBERON:0004736	55.97	gold quality
right testis	UBERON:0004534	54.38	gold quality
prefrontal cortex	UBERON:0000451	52.61	gold quality
buccal mucosa cell	CL:0002336	52.36	gold quality
frontal pole	UBERON:0002795	50.41	gold quality
middle frontal gyrus	UBERON:0002702	50.30	gold quality
paraflocculus	UBERON:0005351	50.18	gold quality
Brodmann (1909) area 10	UBERON:0013541	50.18	gold quality
upper leg skin	UBERON:0004262	50.15	silver quality
olfactory segment of nasal mucosa	UBERON:0005386	49.54	gold quality
cerebellar vermis	UBERON:0004720	49.25	gold quality
ganglionic eminence	UBERON:0004023	49.02	silver quality
right uterine tube	UBERON:0001302	48.27	gold quality
caudate nucleus	UBERON:0001873	48.27	gold quality
primordial germ cell in gonad	CL:0000670 ∩ UBERON:0000991	48.02	silver quality
putamen	UBERON:0001874	47.24	gold quality
nucleus accumbens	UBERON:0001882	47.20	gold quality
endometrium epithelium	UBERON:0004811	46.85	gold quality
frontal cortex	UBERON:0001870	46.55	gold quality
neocortex	UBERON:0001950	45.72	gold quality
hypothalamus	UBERON:0001898	45.43	gold quality
ventricular zone	UBERON:0003053	45.38	gold quality
nasal cavity mucosa	UBERON:0001826	44.92	gold quality
quadriceps femoris	UBERON:0001377	44.83	gold quality
dorsolateral prefrontal cortex	UBERON:0009834	44.17	gold quality
smooth muscle tissue	UBERON:0001135	44.08	gold quality
fallopian tube	UBERON:0003889	44.02	gold quality

Single-cell (SCXA)

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

Experiment	Marker?	Max mean expression
E-ANND-3	no	2.45

Regulation

Is transcription factor: no

Upstream regulators (CollecTRI, top): HIF1A, STAT2

miRNA regulators (miRDB)

80 targeting NMBR, 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-6867-5P	100.00	82.21	3464
HSA-MIR-5011-5P	100.00	83.46	5820
HSA-MIR-4262	100.00	73.26	3931
HSA-MIR-6758-5P	100.00	66.21	1470
HSA-MIR-6856-5P	100.00	65.47	1298
HSA-MIR-190A-3P	100.00	80.35	5520
HSA-MIR-8485	100.00	77.57	4731
HSA-MIR-1277-5P	100.00	73.95	5056
HSA-MIR-3646	100.00	73.56	5283
HSA-MIR-3924	100.00	72.09	2394
HSA-MIR-181A-5P	99.99	72.96	2995
HSA-MIR-181B-5P	99.99	72.97	2996
HSA-MIR-181C-5P	99.99	72.95	2996
HSA-MIR-181D-5P	99.99	73.04	2997
HSA-MIR-33A-5P	99.99	68.62	1055
HSA-MIR-33B-5P	99.99	68.58	1062
HSA-MIR-223-3P	99.99	70.14	1140
HSA-MIR-19A-3P	99.98	75.33	2762
HSA-MIR-19B-3P	99.98	75.44	2754
HSA-MIR-4789-5P	99.98	70.76	2721
HSA-MIR-607	99.97	73.62	5593
HSA-MIR-493-5P	99.96	72.47	2382
HSA-MIR-1250-3P	99.96	70.04	4038
HSA-MIR-4760-3P	99.93	70.50	2385
HSA-MIR-205-3P	99.92	69.92	3165
HSA-MIR-3671	99.90	73.04	3897
HSA-MIR-8062	99.88	68.43	995
HSA-MIR-3919	99.87	69.45	2489
HSA-MIR-944	99.82	70.85	3042
HSA-MIR-3913-5P	99.78	67.26	968

Literature-anchored findings (GeneRIF, showing 4)

• NMB and its receptor are coexpressed by proliferating cells in which they act in an autocrine fashion with similar and modest potency in both normal and malignant colonic epithelial cells. (PMID:15528253)
• Hypoxia regulates the expression of the neuromedin B receptor through a mechanism dependent on hypoxia-inducible factor-1alpha. (PMID:24349381)
• The rs2717 and rs6926279 within the NMBR gene were associated with schizophrenia liability. (PMID:27092952)
• NMBR natural variants were enriched in patients with iron overload, and associated with facilitated iron absorption, possibly related to a defect of iron-induced hepcidin release. (PMID:31724192)

Cross-species orthologs

5 orthologs

Organism	Symbol	Gene ID
danio_rerio	nmbr	ENSDARG00000054152
mus_musculus	Nmbr	ENSMUSG00000019865
rattus_norvegicus	Nmbr	ENSRNOG00000012103
drosophila_melanogaster	CCHa2-R	FBGN0033058
drosophila_melanogaster	CCHa1-R	FBGN0050106

Paralogs (15): NTSR1 (ENSG00000101188), BRS3 (ENSG00000102239), MLNR (ENSG00000102539), GHSR (ENSG00000121853), GRPR (ENSG00000126010), NMUR2 (ENSG00000132911), EDNRB (ENSG00000136160), EDNRA (ENSG00000151617), NTSR2 (ENSG00000169006), GPR37L1 (ENSG00000170075), GPR37 (ENSG00000170775), NMUR1 (ENSG00000171596), GPR148 (ENSG00000173302), TRHR (ENSG00000174417), GPR39 (ENSG00000183840)

Protein

Protein identifiers

Neuromedin-B receptor — P28336 (reviewed: P28336)

Alternative names: Epididymis tissue protein Li 185a, Neuromedin-B-preferring bombesin receptor

All UniProt accessions (1): P28336

UniProt curated annotations — full annotation on UniProt →

Function. Receptor for neuromedin-B. Contributes to the maintenance of basal sigh rate through signaling in the pre-Botzinger complex, a cluster of several thousand neurons in the ventrolateral medulla responsible for inspiration during respiratory activity. Contributes to the induction of sneezing following exposure to chemical irritants or allergens which causes release of NMB by nasal sensory neurons and activation of NMBR-expressing neurons in the sneeze-evoking region of the brainstem. These in turn activate neurons of the caudal ventral respiratory group, giving rise to the sneezing response. Contributes to induction of acute itch, possibly through its activation on dorsal root ganglion neurons by the NMB peptide. Plays a role in the innate immune response to influenza A virus infection by enhancing interferon alpha expression and reducing expression of IL6. Plays a role in CSF1-induced proliferation of osteoclast precursors by contributing to the positive regulation of the expression of the CSF1 receptor CSF1R.

Subcellular location. Cell membrane.

Tissue specificity. Expressed in epididymis (at protein level).

Induction. Up-regulated in response to infection with influenza A virus.

Similarity. Belongs to the G-protein coupled receptor 1 family.

RefSeq proteins (3): NP_001311236, NP_001311237, NP_002502* (*=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR000276	GPCR_Rhodpsn	Family
IPR001556	Bombsn_rcpt-like	Family
IPR001642	NeuroB_rcpt	Family
IPR017452	GPCR_Rhodpsn_7TM	Domain

Pfam: PF00001

UniProt features (40 total): helix 11, topological domain 8, transmembrane region 7, strand 4, glycosylation site 3, chain 1, region of interest 1, compositionally biased region 1, modified residue 1, lipid moiety-binding region 1, disulfide bond 1, sequence variant 1

Structure

Experimental structures (PDB)

2 structures.

PDB	Method	Resolution (Å)
8H0P	ELECTRON MICROSCOPY	3.15
9JF4	ELECTRON MICROSCOPY	3.6

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-P28336-F1	79.77	0.55

Antibody-complex structures (SAbDab): 1 — 8H0P

Functional residue map

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

Post-translational modifications (2): 352, 341

Disulfide bonds (1): 116–198

Glycosylation sites (3): 8, 16, 192

Function

Pathways and Gene Ontology

Reactome pathways

2 pathways

ID	Pathway
R-HSA-375276	Peptide ligand-binding receptors
R-HSA-416476	G alpha (q) signalling events

MSigDB gene sets: 121 (showing top): GSE45365_NK_CELL_VS_CD11B_DC_UP, GOBP_REGULATION_OF_LEUKOCYTE_PROLIFERATION, GOBP_RESPIRATORY_GASEOUS_EXCHANGE_BY_RESPIRATORY_SYSTEM, GOBP_POSITIVE_REGULATION_OF_TYPE_I_INTERFERON_PRODUCTION, GOBP_POSITIVE_REGULATION_OF_CYTOKINE_PRODUCTION, GOBP_REFLEX, GOBP_POSITIVE_REGULATION_OF_LEUKOCYTE_PROLIFERATION, GOBP_NEGATIVE_REGULATION_OF_INTERLEUKIN_6_PRODUCTION, REACTOME_PEPTIDE_LIGAND_BINDING_RECEPTORS, GOBP_NEGATIVE_REGULATION_OF_MULTICELLULAR_ORGANISMAL_PROCESS, GOBP_DEFENSE_RESPONSE_TO_OTHER_ORGANISM, GOBP_LEUKOCYTE_PROLIFERATION, GOBP_CYTOKINE_PRODUCTION, KEGG_NEUROACTIVE_LIGAND_RECEPTOR_INTERACTION, MORF_EPHA7

GO Biological Process (11): G protein-coupled receptor signaling pathway (GO:0007186), phospholipase C-activating G protein-coupled receptor signaling pathway (GO:0007200), negative regulation of interleukin-6 production (GO:0032715), positive regulation of interferon-alpha production (GO:0032727), positive regulation of osteoclast proliferation (GO:0090290), antiviral innate immune response (GO:0140374), sneeze reflex (GO:0160023), positive regulation of respiratory gaseous exchange (GO:1903942), signal transduction (GO:0007165), neuropeptide signaling pathway (GO:0007218), bombesin receptor signaling pathway (GO:0031989)

GO Molecular Function (4): bombesin receptor activity (GO:0004946), neuropeptide receptor activity (GO:0008188), G protein-coupled receptor activity (GO:0004930), G protein-coupled peptide receptor activity (GO:0008528)

GO Cellular Component (3): cytosol (GO:0005829), plasma membrane (GO:0005886), membrane (GO:0016020)

Reactome top-level categories

Rollup of top-2 pathways:

Category	Pathways
Class A/1 (Rhodopsin-like receptors)	1
GPCR downstream signalling	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
G protein-coupled receptor signaling pathway	4
G protein-coupled receptor activity	2
cellular anatomical structure	2
signal transduction	1
phospholipase C activator activity	1
negative regulation of cytokine production	1
interleukin-6 production	1
regulation of interleukin-6 production	1
positive regulation of type I interferon production	1
interferon-alpha production	1
regulation of interferon-alpha production	1
osteoclast proliferation	1
positive regulation of leukocyte proliferation	1
regulation of osteoclast proliferation	1
innate immune response	1
defense response to virus	1
reflex	1
respiratory gaseous exchange by respiratory system	1
regulation of respiratory gaseous exchange	1
positive regulation of multicellular organismal process	1
cell communication	1
cellular process	1
signaling	1
regulation of cellular process	1
cellular response to stimulus	1
neuropeptide receptor activity	1
bombesin receptor signaling pathway	1
neuropeptide signaling pathway	1
G protein-coupled peptide receptor activity	1
neuropeptide binding	1
transmembrane signaling receptor activity	1
peptide receptor activity	1
cytoplasm	1
membrane	1
cell periphery	1

Protein interactions and networks

STRING

594 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
NMBR	NMB	P08949	999
NMBR	GRP	P07491	987
NMBR	TLR4	O00206	775
NMBR	ARRB2	P32121	532
NMBR	ALDH18A1	P54886	496
NMBR	BDKRB2	P30411	466
NMBR	NTRK1	P04629	461
NMBR	MMP9	P14780	449
NMBR	TLR7	Q9NYK1	441
NMBR	TAS1R3	Q7RTX0	422
NMBR	TAS1R2	Q8TE23	420
NMBR	OR6X1	Q8NH79	411
NMBR	NTS	P30990	402
NMBR	GNAQ	P50148	399
NMBR	NEU1	Q99519	397

IntAct

0 interactions, top by confidence:

BioGRID (2): NMBR (Synthetic Lethality), NMBR (Reconstituted Complex)

ESM2 similar proteins: A5A4K9, A5A4L1, B2ZI34, O08725, O08786, O42329, O43193, O54799, O97772, P11616, P21729, P24053, P25099, P26684, P28088, P28190, P28336, P28646, P30542, P30550, P30551, P30731, P30872, P30873, P32238, P33534, P34970, P34975, P35342, P41145, P47745, P47751, P52500, P60893, P60894, P60895, Q2KIP6, Q49LX5, Q5D0K2, Q5RBG7

Diamond homologs: A1ZAX0, B2ZI34, E7F7V7, F1MV99, F1R332, O08726, O08786, O43603, O54798, O54799, O62709, O88626, O88854, O97666, O97772, O97967, P05363, P08911, P08912, P21451, P21729, P22270, P24053, P24530, P25101, P26684, P28088, P28336, P28646, P30550, P30551, P30552, P30553, P30796, P30872, P30873, P30937, P30974, P31391, P32238

SIGNOR signaling

13 interactions.

A	Effect	B	Mechanism
NMB	up-regulates	NMBR	binding
NMBR	up-regulates	GNA12	binding
NMBR	up-regulates	GNA13	binding
NMBR	“up-regulates activity”	GNAS	binding
NMBR	“up-regulates activity”	GNAL	binding
NMBR	“up-regulates activity”	GNAI1	binding
NMBR	“up-regulates activity”	GNAI3	binding
NMBR	“up-regulates activity”	GNAO1	binding
NMBR	“up-regulates activity”	GNAZ	binding
NMBR	“up-regulates activity”	GNAQ	binding
NMBR	“up-regulates activity”	GNA14	binding
“Neuromedin B”	“up-regulates activity”	NMBR	“chemical activation”
NMBR	up-regulates	GNAQ	binding

Disease & clinical

Clinical variants and AI predictions

ClinVar

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

Classification	Count (floor)
Pathogenic	0
Likely pathogenic	0
Uncertain significance	61
Likely benign	9
Benign	1

Top pathogenic / likely-pathogenic (0)

SpliceAI

654 predictions. Top by Δscore:

Variant	Effect	Δscore
6:142133846:ACAGG:A	acceptor_loss	1.0000
6:142133847:CAGG:C	acceptor_loss	1.0000
6:142133849:G:GA	acceptor_loss	1.0000
6:142133193:GATGT:G	donor_gain	0.9900
6:142133194:ATGT:A	donor_gain	0.9900
6:142133194:ATGTG:A	donor_loss	0.9900
6:142133195:TGT:T	donor_gain	0.9900
6:142133195:TGTGT:T	donor_loss	0.9900
6:142133196:GT:G	donor_gain	0.9900
6:142133196:GTG:G	donor_gain	0.9900
6:142133196:GTGTA:G	donor_loss	0.9900
6:142133197:TGT:T	donor_gain	0.9900
6:142133198:G:GA	donor_loss	0.9900
6:142133198:G:GG	donor_gain	0.9900
6:142133199:TA:T	donor_loss	0.9900
6:142133200:AA:A	donor_loss	0.9900
6:142133837:A:AG	acceptor_gain	0.9900
6:142133838:A:G	acceptor_gain	0.9900
6:142133840:A:G	acceptor_gain	0.9900
6:142133843:A:AG	acceptor_gain	0.9900
6:142133844:T:G	acceptor_gain	0.9900
6:142133849:GGTT:G	acceptor_gain	0.9900
6:142133849:GGTTA:G	acceptor_gain	0.9900
6:142078733:CATG:C	donor_gain	0.9800
6:142078736:G:A	donor_gain	0.9800
6:142078778:T:TA	donor_gain	0.9800
6:142133193:G:GT	donor_gain	0.9800
6:142133198:GTA:G	donor_gain	0.9800
6:142133201:AG:A	donor_loss	0.9800
6:142133839:A:AG	acceptor_gain	0.9800

AlphaMissense

2574 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
6:142088245:G:C	S138R	0.997
6:142088245:G:T	S138R	0.997
6:142088247:T:G	S138R	0.997
6:142088237:C:A	R141M	0.996
6:142088332:C:A	W109C	0.996
6:142088332:C:G	W109C	0.996
6:142088393:T:G	D89A	0.996
6:142075989:A:G	C278R	0.994
6:142075996:G:C	F275L	0.994
6:142075996:G:T	F275L	0.994
6:142075998:A:G	F275L	0.994
6:142076039:C:G	R261P	0.994
6:142078639:G:C	S229R	0.994
6:142078639:G:T	S229R	0.994
6:142078641:T:G	S229R	0.994
6:142088393:T:C	D89G	0.994
6:142078824:A:G	W168R	0.993
6:142078824:A:T	W168R	0.993
6:142088277:C:G	G128R	0.993
6:142088277:C:T	G128R	0.993
6:142088312:C:G	C116S	0.993
6:142088313:A:T	C116S	0.993
6:142088393:T:A	D89V	0.993
6:142078620:C:G	A236P	0.992
6:142078655:G:C	P224R	0.992
6:142088334:A:G	W109R	0.992
6:142088334:A:T	W109R	0.992
6:142088392:G:C	D89E	0.992
6:142088392:G:T	D89E	0.992
6:142075828:G:C	F331L	0.991

dbSNP variants (sampled 300 via entrez): RS1000062993 (6:142140254 A>G), RS1000079733 (6:142142879 G>A), RS1000093842 (6:142139966 G>C), RS1000126420 (6:142139695 G>A), RS1000140638 (6:142128394 T>C), RS1000245348 (6:142094927 A>G), RS1000285308 (6:142084277 T>C), RS1000306806 (6:142134610 T>A,C), RS1000384026 (6:142102418 C>A,T), RS1000414285 (6:142097036 A>G,T), RS1000436152 (6:142090296 T>G), RS1000454059 (6:142140395 T>G), RS1000466666 (6:142097165 C>A,G,T), RS1000467756 (6:142134132 T>G), RS1000522880 (6:142083721 G>A,T)

Disease associations

OMIM: gene MIM:162341 | disease phenotypes:

GenCC curated gene-disease

Mondo (0):

Orphanet (0):

HPO phenotypes

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

GWAS associations

7 associations (top):

Study	Trait	p-value
GCST000847_2	Retinal vascular caliber	1.000000e-16
GCST003807_4	Systolic blood pressure response to hydrochlorothiazide in hypertension	7.000000e-06
GCST008163_281	Height	1.000000e-06
GCST008362_161	Birth weight	3.000000e-13
GCST010989_112	Body size at age 10	5.000000e-12
GCST90011898_135	Alanine aminotransferase levels	8.000000e-09
GCST90020028_226	Hip circumference adjusted for BMI	2.000000e-08

EFO canonical traits (5, from GWAS)

EFO ID	Trait name
EFO:0004731	eye measurement
EFO:0006944	systolic blood pressure change measurement
EFO:0004344	birth weight
EFO:0009819	comparative body size at age 10, self-reported
EFO:0008039	BMI-adjusted hip circumference

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (2): CHEMBL3636 (SINGLE PROTEIN), CHEMBL4524010 (PROTEIN FAMILY)

Molecules with ChEMBL bioactivity

1 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 3,304 (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
CHEMBL437027	BOMBESIN	1	3,304

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

GtoPdb / IUPHAR curated pharmacology

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

Target class: gpcr — Bombesin receptors

Most potent curated ligand interactions (23 total), top 23:

Ligand	Action	Affinity	Parameter
neuromedin B	Full agonist	10.3	pKi
PD 176252	Antagonist	9.77	pIC50
Rhodei-litorin	Full agonist	9.75	pIC50
neuromedin B (1-30) (human)	Full agonist	9.7	pIC50
[D-Phe6,β-Ala11,Phe13,Nle14]bombesin-(6-14)	Full agonist	9.68	pIC50
PD 168368	Antagonist	9.6	pIC50
ranatensin	Full agonist	8.83	pIC50
phyllolitorin	Full agonist	8.64	pIC50
[Phe13]bombesin	Full agonist	8.22	pKi
PD 165929	Antagonist	8.2	pKd
litorin	Full agonist	8.15	pKi
bombesin	Full agonist	7.49	pKi
gastrin releasing peptide(14-27) (human)	Full agonist	6.91	pIC50
D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-Nal-NH2	Antagonist	6.56	pIC50
[Leu8]-phyllolitorin	Full agonist	6.53	pIC50
gastrin-releasing peptide	Full agonist	6.39	pKi
D-Nal,Cys,Tyr,D-Trp,Orn,Val,Cys,Nal-NH2	Antagonist	6.33	pIC50
JMV641	Antagonist	5.82	pIC50
bantag-1	Antagonist	5.48	pIC50
kuwanon H	Antagonist	5.19	pKi
[D-Phe6, Leu13, Cpa14,ψ13-14]bombesin-(6-14)	Antagonist	5.0	pIC50
MK-5046	Full agonist	5.0	pIC50
JMV594	Antagonist	5.0	pIC50

Binding affinities (BindingDB)

16 measured of 17 human assays (17 total across all organisms); most potent 16 below. Values come from heterogeneous assays and are not directly comparable.

Ligand	Measure	Value
CAS_5490336	KI	0.36 nM
NSC_0	KI	0.82 nM
NSC_0	KI	2.3 nM
NSC_0	KI	2.8 nM
NSC_0	KI	8.2 nM
NSC_0	KI	12.3 nM
NSC_0	KI	15.8 nM
NSC_0	KI	24 nM
NSC_0	KI	85 nM
NSC_0	KI	107 nM
NSC_0	KI	490 nM
NSC_0	KI	708 nM
NSC_0	KI	776 nM
SR 147778	KI	1000 nM
NSC_0	KI	2400 nM

ChEMBL bioactivities

140 potent at pChembl≥5 of 142 total, top 50 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
10.17	Ki	0.068	nM	CHEMBL403317
9.82	Ki	0.15	nM	CHEMBL329650
9.81	EC50	0.1549	nM	CHEMBL5397144
9.77	Ki	0.17	nM	CHEMBL405908
9.52	Ki	0.3	nM	CHEMBL327388
9.49	Ki	0.32	nM	CHEMBL327840
9.41	Ki	0.39	nM	CHEMBL86370
9.36	Ki	0.44	nM	CHEMBL85400
9.34	Ki	0.46	nM	CHEMBL312926
9.28	Ki	0.52	nM	CHEMBL433143
9.26	EC50	0.55	nM	CHEMBL525577
9.23	Ki	0.59	nM	CHEMBL85291
9.21	Ki	0.62	nM	CHEMBL87846
9.18	IC50	0.66	nM	CHEMBL405908
9.05	IC50	0.9	nM	CHEMBL414307
9.02	IC50	0.96	nM	UNIVERSAL LIGAND
9.01	Ki	0.97	nM	CHEMBL313346
8.82	Ki	1.5	nM	CHEMBL313030
8.80	IC50	1.6	nM	Demobesin 3
8.70	Ki	2	nM	BOMBESIN
8.70	IC50	2	nM	CHEMBL266079
8.68	Ki	2.1	nM	CHEMBL314375
8.68	Ki	2.1	nM	CHEMBL327678
8.68	Ki	2.1	nM	CHEMBL269432
8.55	Ki	2.8	nM	CHEMBL316085
8.54	Ki	2.9	nM	CHEMBL90614
8.47	Ki	3.4	nM	CHEMBL89734
8.20	Ki	6.3	nM	CHEMBL86828
8.11	Ki	7.8	nM	CHEMBL329561
8.05	Ki	8.9	nM	CHEMBL525577
8.04	Ki	9.1	nM	CHEMBL413196
8.03	Ki	9.4	nM	CHEMBL88010
7.95	IC50	11.2	nM	CHEMBL2371724
7.85	Ki	14	nM	CHEMBL1907865
7.75	EC50	17.7	nM	CHEMBL103756
7.57	Ki	27	nM	CHEMBL87079
7.54	IC50	29	nM	CHEMBL103756
7.52	IC50	30	nM	CHEMBL563374
7.43	Ki	37	nM	CHEMBL292119
7.14	Ki	72	nM	CHEMBL315859
7.12	Ki	76	nM	CHEMBL1907682
7.02	IC50	96	nM	CHEMBL563374
7.02	Ki	95	nM	CHEMBL89075
6.92	EC50	120	nM	CHEMBL403317
6.92	Ki	120	nM	CHEMBL315660
6.90	Ki	125	nM	CHEMBL89153
6.88	EC50	132	nM	CHEMBL103756
6.82	IC50	150	nM	CHEMBL559860
6.77	IC50	170	nM	CHEMBL563564
6.75	IC50	180	nM	CHEMBL538178

PubChem BioAssay actives

101 with measured affinity, of 169 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)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0001	uM
(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0001	uM
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]pentanediamide	1990921: Agonist activity at human BB1 in human HEK293T cells assessed as increase in intracellular calcium response and measured for 3 mins by FLIPR calcium 6 assay	ec50	0.0002	uM
(2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxy-2-pyridinyl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0002	uM
(2S)-2-[(4-cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0003	uM
(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[[1-(4-nitrophenyl)cyclohexyl]methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0003	uM
(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-phenylcyclohexyl)methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0004	uM
(2S)-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0004	uM
(2S)-3-(1H-indol-3-yl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0005	uM
(2S)-N-[[1-[4-(dimethylamino)phenyl]cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0005	uM
(2S)-N-[[1-(4-hydroxyphenyl)cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0006	uM
(2S)-N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0006	uM
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]pentanediamide	348845: Agonist activity at recombinant neuromedin B receptor expressed in baculovirus-transduced HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay	ec50	0.0006	uM
(2S)-2-[[2-[2-[4-[3-(2-aminoethylamino)-2-[(2-aminoethylamino)methyl]propyl]anilino]-2-oxoethoxy]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide	241931: Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells	ic50	0.0009	uM
(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(3-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0010	uM
(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide	241931: Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells	ic50	0.0010	uM
(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0015	uM
(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-methylsulfanyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[3-(2-aminoethylamino)-2-[(2-aminoethylamino)methyl]propanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide	241931: Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells	ic50	0.0016	uM
(2S)-2-[[2-[2-[4-[3-(2-aminoethylamino)-2-[(2-aminoethylamino)methyl]propyl]anilino]-2-oxoethoxy]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide	241931: Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells	ic50	0.0020	uM
(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanediamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0020	uM
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0021	uM
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0021	uM
(2S)-2-[(4-chlorophenyl)carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0028	uM
(2S)-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0029	uM
(2S)-3-(1H-indol-3-yl)-N-[[1-(2-methoxyphenyl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0034	uM
(2S)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0063	uM
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0091	uM
(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0094	uM
(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxoheptan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[3-(2-aminoethylamino)-2-[(2-aminoethylamino)methyl]propanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide	241931: Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells	ic50	0.0112	uM
3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-5-methoxy-N-[(1-pyridin-2-ylcyclohexyl)methyl]-1,2,4,9-tetrahydrocarbazole-3-carboxamide	145959: Agonistic activity was determined against human Neuromedin B receptor transfected in HEK293 cells as accumulation levels of inositol phosphate	ec50	0.0177	uM
(2S)-3-(1H-indol-3-yl)-2-methyl-2-(phenylcarbamoylamino)-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.0270	uM
3-methyl-6-[2-(trifluoromethyl)phenyl]spiro[6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-9,1’-cyclopentane]-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.0300	uM
5-butyl-6-(2-chloro-6-fluorophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.1500	uM
6-(2-chloro-6-fluorophenyl)-3,5,9,9-tetramethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.1700	uM
6-(2-chloro-6-fluorophenyl)-5-ethyl-3,9,9-trimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.1800	uM
(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(2-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide	42490: Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells	ki	0.1840	uM
3,9,9-trimethyl-6-(2-methylsulfanylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.2000	uM
6-(2-chlorophenyl)-3-methylspiro[6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-9,1’-cyclopentane]-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.2400	uM
3-methyl-6-(2-methylsulfanylphenyl)spiro[6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-9,1’-cyclopentane]-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.2500	uM
3,9,9-trimethyl-6-[2-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.2500	uM
6-(2-chlorophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.2800	uM
6-(2-chloro-6-fluorophenyl)-3-methylspiro[6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-9,1’-cyclopentane]-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.2800	uM
6-(2-chloro-6-fluorophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.3000	uM
(2S)-2-[[(2S)-2-[[(2S)-2-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid	144555: Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay	ec50	0.3100	uM
3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]-1,2,4,9-tetrahydrocarbazole-3-carboxamide	145960: Affinity of [125I][D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells	ic50	0.3200	uM
6-(2-chloro-6-fluorophenyl)-9,9-dimethyl-3-(trifluoromethyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.3700	uM
6-(2-chloro-6-fluorophenyl)-3,9-dimethyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.4500	uM
6-[2-fluoro-6-(trifluoromethyl)phenyl]-3-methylspiro[6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-9,1’-cyclopentane]-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.5400	uM
3,9,9-trimethyl-6-(2-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one	426170: Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	ic50	0.5500	uM
3-[(2-methyl-4-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]-1,2,4,9-tetrahydrocarbazole-3-carboxamide	145960: Affinity of [125I][D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells	ic50	0.6200	uM

CTD chemical–gene interactions

25 total (human), top 25 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
Benzo(a)pyrene	affects methylation, increases methylation, increases mutagenesis	2
propionaldehyde	increases methylation	1
nonanal	increases methylation	1
n-hexanal	increases methylation	1
terbufos	increases methylation	1
1,6-hexamethylene diisocyanate	increases methylation	1
sodium arsenite	increases expression	1
butyraldehyde	increases methylation	1
caprylic aldehyde	increases methylation	1
S-(1,2-dichlorovinyl)cysteine	affects response to substance, increases expression, affects cotreatment	1
pentanal	increases methylation	1
heptanal	increases methylation	1
3-(5’-hydroxymethyl-2’-furyl)-1-benzylindazole	decreases reaction, increases expression	1
CGP 52608	affects binding, increases reaction	1
Resveratrol	affects cotreatment, decreases expression	1
Caffeine	increases phosphorylation	1
Doxorubicin	decreases expression	1
Fonofos	increases methylation	1
Hydrogen Peroxide	decreases expression	1
Lipopolysaccharides	affects response to substance, increases expression, affects cotreatment	1
Mimosine	increases expression	1
Oxygen	increases expression, affects binding, increases reaction, decreases reaction	1
Parathion	increases methylation	1
Plant Extracts	affects cotreatment, decreases expression	1
Cadmium Chloride	decreases expression	1

ChEMBL screening assays

35 unique, capped per target: 22 binding, 13 functional

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL1057866	Binding	Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells	Discovery and optimization of a novel Neuromedin B receptor antagonist. — Bioorg Med Chem Lett
CHEMBL1057872	Functional	Antagonist activity at human neuromedin B receptor transfected in HEK293 cells assessed as inhibition of 1 nM neuromedin B-induced myo-[3H]inositol phosphate accumulation after 60 mins by scintillation proximity assay	Discovery and optimization of a novel Neuromedin B receptor antagonist. — Bioorg Med Chem Lett

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_H404	CHO-K1/BB1	Spontaneously immortalized cell line	Female
CVCL_KY59	PathHunter CHO-K1 NMBR beta-arrestin	Spontaneously immortalized cell line	Female
CVCL_LA88	PathHunter U2OS NMBR Total GPCR Internalization	Cancer cell line	Female

Clinical trials (associated diseases)

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