CELA1

Summary

CELA1 (chymotrypsin like elastase 1, HGNC:3308) is a protein-coding gene on chromosome 12q13.13, encoding Chymotrypsin-like elastase family member 1 (Q9UNI1). Serine proteases that hydrolyze many proteins in addition to elastin.

Elastases form a subfamily of serine proteases that hydrolyze many proteins in addition to elastin. Humans have six elastase genes which encode the structurally similar proteins elastase 1, 2, 2A, 2B, 3A, and 3B. Unlike other elastases, pancreatic elastase 1 is not expressed in the pancreas. To date, elastase 1 expression has only been detected in skin keratinocytes. Clinical literature that describes human elastase 1 activity in the pancreas or fecal material is actually referring to chymotrypsin-like elastase family, member 3B.

Source: NCBI Gene 1990 — RefSeq curated summary.

At a glance

• GWAS associations: 2
• Clinical variants (ClinVar): 45 total
• Druggable target: yes — 1 molecules with ChEMBL bioactivity
• MANE Select transcript: NM_001971

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:3308
Approved symbol	CELA1
Name	chymotrypsin like elastase 1
Location	12q13.13
Locus type	gene with protein product
Status	Approved
Ensembl gene	ENSG00000139610
Ensembl biotype	protein_coding
OMIM	130120
Entrez	1990

Gene structure

Transcript identifiers

Ensembl transcripts: 1 — 1 protein_coding

ENST00000293636

RefSeq mRNA: 1 — MANE Select: NM_001971 NM_001971

CCDS: CCDS8812

Canonical transcript exons

ENST00000293636 — 8 exons

Exon	Start	End
ENSE00000939034	51343753	51343853
ENSE00000939036	51342575	51342700
ENSE00000939038	51341244	51341380
ENSE00000939040	51339860	51340005
ENSE00001283880	51329684	51329833
ENSE00001283914	51345795	51345877
ENSE00001283925	51328442	51328594
ENSE00001283934	51346623	51346679

Expression profiles

Bgee: expression breadth broad, 43 present calls, max score 88.62.

Top tissues by expression

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

Tissue	Anatomy ID	Expression score	Quality
male germ line stem cell (sensu Vertebrata) in testis	CL:0000089 ∩ UBERON:0000473	88.62	gold quality
endothelial cell	CL:0000115	73.19	gold quality
left adrenal gland	UBERON:0001234	67.89	gold quality
right adrenal gland cortex	UBERON:0035827	67.44	gold quality
granulocyte	CL:0000094	67.22	gold quality
left adrenal gland cortex	UBERON:0035825	67.18	gold quality
adrenal cortex	UBERON:0001235	65.36	gold quality
right adrenal gland	UBERON:0001233	64.77	gold quality
leukocyte	CL:0000738	64.31	gold quality
monocyte	CL:0000576	63.52	gold quality
adrenal gland	UBERON:0002369	62.26	gold quality
oocyte	CL:0000023	62.12	gold quality
primordial germ cell in gonad	CL:0000670 ∩ UBERON:0000991	58.63	gold quality
gingival epithelium	UBERON:0001949	56.98	gold quality
myocardium	UBERON:0002349	55.21	gold quality
tendon of biceps brachii	UBERON:0008188	54.49	gold quality
cerebellar vermis	UBERON:0004720	54.46	gold quality
heart right ventricle	UBERON:0002080	53.31	gold quality
seminal vesicle	UBERON:0000998	52.74	gold quality
stromal cell of endometrium	CL:0002255	52.39	silver quality
gingiva	UBERON:0001828	52.16	gold quality
visceral pleura	UBERON:0002401	52.07	gold quality
vastus lateralis	UBERON:0001379	52.03	gold quality
blood	UBERON:0000178	51.93	gold quality
quadriceps femoris	UBERON:0001377	51.76	gold quality
substantia nigra pars reticulata	UBERON:0001966	50.87	gold quality
nasal cavity epithelium	UBERON:0005384	50.44	gold quality
parietal pleura	UBERON:0002400	50.04	gold quality
Brodmann (1909) area 46	UBERON:0006483	49.37	gold quality
deltoid	UBERON:0001476	47.61	gold quality

Single-cell (SCXA)

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

Experiment	Marker?	Max mean expression
E-ANND-3	no	2.91

Regulation

Is transcription factor: no

Upstream regulators (CollecTRI, top): PDX1

miRNA regulators (miRDB)

10 targeting CELA1, 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-4747-5P	100.00	67.90	2681
HSA-MIR-5196-5P	100.00	67.98	2761
HSA-MIR-6885-3P	99.75	70.36	3187
HSA-MIR-3158-5P	99.65	67.51	1763
HSA-MIR-24-3P	99.59	69.97	1934
HSA-MIR-548B-3P	99.38	67.26	1000
HSA-MIR-6830-3P	98.62	68.07	1760
HSA-MIR-509-3-5P	97.21	67.74	1517
HSA-MIR-509-5P	97.21	67.90	1512
HSA-MIR-4418	97.04	67.16	1372

Literature-anchored findings (GeneRIF, showing 8)

• Fecal elastase-1 is useful to identify pancreatic insufficiency. Steatorrhea is anticipated in non-operated patients only when FE-1 is below the limit for a confident measurement of our assay (PMID:23395568)
• Data indicate that fecal elastase-1 was lower in the pancreaticoduodenectomy (PD) group. (PMID:24622077)
• Mutant genes (CELA1, HSPG2, and KCNK5) in Balkan endemic nephropathy patients encode proteins involved in basement membrane/extracellular matrix and vascular tone, tightly connected to process of angiogenesis. (PMID:24949484)
• Results indicate that the extract of the mycelium of Tricholoma matsutake decreased elastase activity in a dose-dependent manner and reduced the levels of matrix metalloproteinase 1 (MMP-1). (PMID:25319362)
• Inverse association of HbA1c with faecal elastase 1 in people without diabetes suggests that pancreatic exocrine dysfunction might be an early disturbance that develops in parallel with hyperglycemia. (PMID:26601880)
• A heterozygous frameshift variant c.419delC in exons of the CELA1 gene identified in all punctate palmoplantar keratoderma patients. (PMID:28604957)
• Results show that fecal elastase 1 (FE1) fails to detect steatorrhea in patients with locally advanced pancreatic cancer (LAPC) and is an inappropriate marker of exocrine pancreatic insufficiency in daily clinical practice. (PMID:29521945)
• High Serum Elastase 1 Level is associated with Postoperative Recurrence in Patients with Well-Differentiated Pancreatic Neuroendocrine Neoplasms. (PMID:30054822)

Cross-species orthologs

10 orthologs

Organism	Symbol	Gene ID
danio_rerio	cela1.6	ENSDARG00000017314
danio_rerio	cela1.5	ENSDARG00000043168
danio_rerio	cela1.4	ENSDARG00000043171
danio_rerio	cela1.3	ENSDARG00000043173
danio_rerio	cela1.1	ENSDARG00000043175
danio_rerio	loc100334908	ENSDARG00000077058
danio_rerio	cela1.7	ENSDARG00000092890
danio_rerio	cela1.2	ENSDARG00000095462
mus_musculus	Cela1	ENSMUSG00000023031
rattus_norvegicus	Cela1	ENSRNOG00000080453

Paralogs (6): CELA2A (ENSG00000142615), CELA3A (ENSG00000142789), PRTN3 (ENSG00000196415), ELANE (ENSG00000197561), CELA2B (ENSG00000215704), CELA3B (ENSG00000219073)

Protein

Protein identifiers

Chymotrypsin-like elastase family member 1 — Q9UNI1 (reviewed: Q9UNI1)

Alternative names: Elastase-1, Pancreatic elastase 1

All UniProt accessions (1): Q9UNI1

UniProt curated annotations — full annotation on UniProt →

Function. Serine proteases that hydrolyze many proteins in addition to elastin.

Subcellular location. Secreted.

Tissue specificity. Basal layers of epidermis (at protein level). Not expressed in the pancreas.

Cofactor. Binds 1 Ca(2+) ion per subunit.

Similarity. Belongs to the peptidase S1 family. Elastase subfamily.

RefSeq proteins (1): NP_001962* (*=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR001254	Trypsin_dom	Domain
IPR001314	Peptidase_S1A	Family
IPR009003	Peptidase_S1_PA	Homologous_superfamily
IPR018114	TRYPSIN_HIS	Active_site
IPR033116	TRYPSIN_SER	Active_site
IPR043504
IPR050850	Peptidase_S1_Elastase_sf	Family

Pfam: PF00089

Enzyme classification (BRENDA):

• EC 3.4.21.36 — pancreatic elastase (BRENDA: 9 organisms, 38 substrates, 89 inhibitors, 36 Km, 28 kcat entries)

Substrate kinetics (BRENDA)

17 substrates with measured Km, best-characterized 15. Km ranges are aggregated across organisms/conditions.

Substrate	Km (mM)	Measurements
4-NITROPHENYL ACETATE	0.0776–0.1157	4
SUCCINYL-L-ALA-L-ALA-L-PRO-L-ALA-4-NITROANILIDE	0.166–1.089	3
SUCCINYL-L-ALA-L-ALA-L-PRO-L-ILE-4-NITROANILIDE	0.484–1.06	3
SUCCINYL-L-ALA-L-ALA-L-PRO-L-LEU-4-NITROANILIDE	0.259–0.785	3
SUCCINYL-L-ALA-L-ALA-L-PRO-L-MET-4-NITROANILIDE	0.288–0.54	3
SUCCINYL-L-ALA-L-ALA-L-PRO-L-SER-4-NITROANILIDE	0.984–2.311	3
SUCCINYL-L-ALA-L-ALA-L-PRO-L-VAL-4-NITROANILIDE	0.43–1.178	3
SUCCINYL-ALA-ALA-ALA-P-NITROANILIDE	0.68–1.47	2
SUCCINYL-ALA-ALA-PRO-ILE-P-NITROANILIDE	0.15–0.91	2
SUCCINYL-L-ALA-L-ALA-L-ALA-4-NITROANILIDE	0.504–2.09	2
SUCCINYL-ALA-ALA-PRO-ALA-P-NITROANILIDE	0.83	1
SUCCINYL-ALA-ALA-PRO-LEU-P-NITROANILIDE	1.34	1
SUCCINYL-ALA-ALA-PRO-MET-P-NITROANILIDE	1.42	1
SUCCINYL-ALA-ALA-PRO-PHE-P-NITROANILIDE	1.21	1
SUCCINYL-ALA-ALA-PRO-VAL-P-NITROANILIDE	0.82	1

UniProt features (23 total): sequence variant 5, binding site 4, disulfide bond 4, active site 3, glycosylation site 2, signal peptide 1, propeptide 1, chain 1, sequence conflict 1, domain 1

Structure

Experimental structures (PDB)

0 structures.

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-Q9UNI1-F1	92.54	0.90

Functional residue map

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

Catalytic / active sites (3): 63 (charge relay system); 111 (charge relay system); 206 (charge relay system)

Ligand- & substrate-binding residues (4): 87; 77; 79; 82

Disulfide bonds (4): 48–64, 145–212, 176–192, 202–232

Glycosylation sites (2): 79, 233

Function

Pathways and Gene Ontology

Reactome pathways

0 pathways

MSigDB gene sets: 155 (showing top): GOBP_INFLAMMATORY_RESPONSE, GOBP_POSITIVE_REGULATION_OF_VASCULATURE_DEVELOPMENT, GRAESSMANN_APOPTOSIS_BY_DOXORUBICIN_DN, GRAESSMANN_RESPONSE_TO_MC_AND_DOXORUBICIN_DN, GOBP_GROWTH, GOBP_MACROMOLECULE_CATABOLIC_PROCESS, GOBP_CARBOHYDRATE_DERIVATIVE_CATABOLIC_PROCESS, IVANOVA_HEMATOPOIESIS_MATURE_CELL, GOBP_CARBOHYDRATE_DERIVATIVE_METABOLIC_PROCESS, GOBP_PANCREAS_DEVELOPMENT, GOBP_DIGESTIVE_SYSTEM_DEVELOPMENT, GOBP_ANIMAL_ORGAN_MORPHOGENESIS, WANG_RESPONSE_TO_BEXAROTENE_UP, ICHIBA_GRAFT_VERSUS_HOST_DISEASE_35D_DN, GOBP_MULTICELLULAR_ORGANISM_GROWTH

GO Biological Process (16): negative regulation of transcription by RNA polymerase II (GO:0000122), transcription by RNA polymerase II (GO:0006366), proteolysis (GO:0006508), inflammatory response (GO:0006954), post-embryonic development (GO:0009791), Wnt signaling pathway (GO:0016055), exocrine pancreas development (GO:0031017), multicellular organism growth (GO:0035264), regulation of cell population proliferation (GO:0042127), regulation of cell differentiation (GO:0045595), positive regulation of angiogenesis (GO:0045766), positive regulation of transcription by RNA polymerase II (GO:0045944), tissue remodeling (GO:0048771), elastin catabolic process (GO:0060309), pancreas morphogenesis (GO:0061113), digestive system development (GO:0055123)

GO Molecular Function (5): serine-type endopeptidase activity (GO:0004252), metal ion binding (GO:0046872), peptidase activity (GO:0008233), serine-type peptidase activity (GO:0008236), hydrolase activity (GO:0016787)

GO Cellular Component (2): obsolete extracellular space (GO:0005615), extracellular region (GO:0005576)

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
multicellular organismal process	3
regulation of transcription by RNA polymerase II	2
transcription by RNA polymerase II	2
pancreas development	2
regulation of cellular process	2
negative regulation of DNA-templated transcription	1
DNA-templated transcription	1
protein metabolic process	1
defense response	1
multicellular organism development	1
cell surface receptor signaling pathway	1
exocrine system development	1
gland development	1
digestive system development	1
developmental growth	1
cell population proliferation	1
cell differentiation	1
regulation of developmental process	1
angiogenesis	1
regulation of angiogenesis	1
positive regulation of vasculature development	1
positive regulation of DNA-templated transcription	1
glycoprotein catabolic process	1
elastin metabolic process	1
animal organ morphogenesis	1
system development	1
endopeptidase activity	1
serine-type peptidase activity	1
cation binding	1
hydrolase activity	1
catalytic activity, acting on a protein	1
peptidase activity	1
serine hydrolase activity	1
catalytic activity	1
cellular anatomical structure	1

Protein interactions and networks

STRING

964 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
CELA1	CUL3	Q13618	805
CELA1	SERPINA1	P01009	721
CELA1	RBX1	P62877	681
CELA1	SCT	P09683	621
CELA1	CPA1	P15085	590
CELA1	PTF1A	Q7RTS3	539
CELA1	PI3	P19957	528
CELA1	SERPINB1	P30740	517
CELA1	SPINK1	P00995	510
CELA1	PNLIP	P16233	507
CELA1	TERF1	P54274	474
CELA1	CPA2	P48052	460
CELA1	CFTR	P13569	436
CELA1	CPA6	Q8N4T0	435
CELA1	CPA5	Q8WXQ8	419

IntAct

3 interactions, top by confidence:

A	B	Type	Score
CELA1	KRBA1	psi-mi:“MI:0914”(association)	0.350

BioGRID (28): TUBB1 (Affinity Capture-MS), SMYD2 (Affinity Capture-MS), PRR14 (Affinity Capture-MS), SIPA1L2 (Affinity Capture-MS), GLI3 (Affinity Capture-MS), ZNF318 (Affinity Capture-MS), KRBA1 (Affinity Capture-MS), BCOR (Affinity Capture-MS), HDAC3 (Affinity Capture-MS), CEP164 (Affinity Capture-MS), HELZ (Affinity Capture-MS), USP54 (Affinity Capture-MS), EIF4E2 (Affinity Capture-MS), CCT2 (Affinity Capture-MS), DISC1 (Affinity Capture-MS)

ESM2 similar proteins: A0A126GUP6, A0A1S4H5M5, A0A6J1W8N1, B5U2W0, F5HKX0, O19023, O46644, O97366, P00772, P00773, P00774, P05208, P05805, P06871, P06872, P07477, P07478, P08217, P08218, P08419, P08861, P09093, P13582, P16049, P21902, P47796, P55091, P80009, P80010, Q29461, Q2VG86, Q3SYP2, Q49QW1, Q5R1M5, Q7M3E1, Q7M4I3, Q7PEV7, Q7QBP4, Q867B0, Q8I6K0

Diamond homologs: A0A182C2Z2, O18783, O19023, O35453, O46644, O46683, P00747, P00761, P00762, P00766, P00767, P00772, P00773, P00774, P04813, P05208, P05805, P05981, P06867, P06868, P06872, P07338, P07477, P08217, P08218, P08419, P08861, P09093, P12545, P14417, P15944, P17538, P20231, P20918, P21845, P26262, P27435, P29293, P35031, P35032

SIGNOR signaling

0 interactions.

Disease & clinical

Clinical variants and AI predictions

ClinVar

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

Classification	Count (floor)
Pathogenic	0
Likely pathogenic	0
Uncertain significance	34
Likely benign	4
Benign	2

Top pathogenic / likely-pathogenic (0)

SpliceAI

1067 predictions. Top by Δscore:

Variant	Effect	Δscore
12:51329682:A:AC	donor_gain	1.0000
12:51329683:C:CC	donor_gain	1.0000
12:51329830:CACC:C	acceptor_gain	1.0000
12:51329832:CC:C	acceptor_gain	1.0000
12:51329833:CC:C	acceptor_gain	1.0000
12:51329833:CCTG:C	acceptor_loss	1.0000
12:51329834:C:CC	acceptor_gain	1.0000
12:51329834:CTGC:C	acceptor_loss	1.0000
12:51329835:T:A	acceptor_loss	1.0000
12:51340002:TTGG:T	acceptor_gain	1.0000
12:51340003:TGG:T	acceptor_gain	1.0000
12:51340006:C:CC	acceptor_gain	1.0000
12:51341242:A:AC	donor_gain	1.0000
12:51341242:ACT:A	donor_gain	1.0000
12:51341243:C:CA	donor_gain	1.0000
12:51341243:CT:C	donor_gain	1.0000
12:51341243:CTC:C	donor_gain	1.0000
12:51341378:TAG:T	acceptor_gain	1.0000
12:51342697:CTGG:C	acceptor_gain	1.0000
12:51342701:C:CC	acceptor_gain	1.0000
12:51343751:A:AC	donor_gain	1.0000
12:51343752:C:CC	donor_gain	1.0000
12:51343752:CTAAT:C	donor_gain	1.0000
12:51345877:CCTT:C	acceptor_gain	1.0000
12:51345880:T:C	acceptor_gain	1.0000
12:51345880:T:TC	acceptor_gain	1.0000
12:51345882:G:C	acceptor_gain	1.0000
12:51345888:C:CT	acceptor_gain	1.0000
12:51329677:GACT:G	donor_loss	0.9900
12:51329678:ACTC:A	donor_loss	0.9900

AlphaMissense

1670 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
12:51341257:C:A	W150C	0.994
12:51341257:C:G	W150C	0.994
12:51329720:G:C	F241L	0.993
12:51329720:G:T	F241L	0.993
12:51329722:A:G	F241L	0.993
12:51329765:A:C	F226L	0.989
12:51329765:A:T	F226L	0.989
12:51329767:A:G	F226L	0.989
12:51329693:C:A	W250C	0.987
12:51329693:C:G	W250C	0.987
12:51341375:T:A	D111V	0.987
12:51339894:C:G	C192S	0.985
12:51339895:A:T	C192S	0.985
12:51341375:T:G	D111A	0.985
12:51339923:C:A	W182C	0.982
12:51339923:C:G	W182C	0.982
12:51341256:C:A	G151C	0.982
12:51329768:G:C	S225R	0.981
12:51329768:G:T	S225R	0.981
12:51329770:T:G	S225R	0.981
12:51339942:C:G	C176S	0.980
12:51339943:A:T	C176S	0.980
12:51341370:C:G	A113P	0.980
12:51329828:G:C	D205E	0.979
12:51329828:G:T	D205E	0.979
12:51329829:T:A	D205V	0.979
12:51339864:C:G	C202S	0.978
12:51339865:A:T	C202S	0.978
12:51341259:A:G	W150R	0.978
12:51341259:A:T	W150R	0.978

dbSNP variants (sampled 300 via entrez): RS1000034879 (12:51335935 C>G,T), RS1000263224 (12:51335501 G>A), RS1000310150 (12:51329488 T>C), RS1000408840 (12:51329143 A>T), RS1000997203 (12:51331007 A>C), RS1001001762 (12:51342613 C>T), RS1001083921 (12:51335227 C>A,G), RS1001221509 (12:51342161 C>T), RS1001309208 (12:51343521 T>C), RS1001340409 (12:51343883 G>T), RS1001390141 (12:51335285 C>G,T), RS1001416374 (12:51336866 T>C), RS1001591281 (12:51330736 T>A,C), RS1001700746 (12:51331165 G>A), RS1001815763 (12:51329051 G>A)

Disease associations

OMIM: gene MIM:130120 | disease phenotypes:

GenCC curated gene-disease

Mondo (0):

Orphanet (0):

HPO phenotypes

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

GWAS associations

2 associations (top):

Study	Trait	p-value
GCST001762_753	Obesity-related traits	6.000000e-06
GCST90002398_141	Neutrophil count	4.000000e-09

EFO canonical traits (1, from GWAS)

EFO ID	Trait name
EFO:0004833	neutrophil count

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (1): CHEMBL3000 (SINGLE PROTEIN)

Molecules with ChEMBL bioactivity

1 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 3,301 (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
CHEMBL231813	TELAPREVIR	4	3,301

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

GtoPdb / IUPHAR curated pharmacology

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

Target class: enzyme — S1: Chymotrypsin

Most potent curated ligand interactions (1 total), top 1:

Ligand	Action	Affinity	Parameter
telaprevir	Inhibition	7.52	pIC50

Binding affinities (BindingDB)

1 measured of 1 human assays (1 total across all organisms); most potent 1 below. Values come from heterogeneous assays and are not directly comparable.

Ligand	Measure	Value
N-(Adamantyl-sulfonyl)-N-(methoxy succinate) lys-pro-val-trifluromethane	KI	0.58 nM

ChEMBL bioactivities

18 potent at pChembl≥5 of 20 total, top 18 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
9.24	Ki	0.58	nM	CHEMBL130253
9.00	Ki	1	nM	CHEMBL336171
7.85	Ki	14	nM	CHEMBL130271
7.52	IC50	30	nM	TELAPREVIR
7.36	Ki	44	nM	CHEMBL337396
7.29	IC50	51.6	nM	Z-PRO-PROLINAL
6.80	Ki	160	nM	CHEMBL446422
6.70	Ki	200	nM	CHEMBL436383
6.60	Ki	250	nM	CHEMBL130128
6.54	Ki	290	nM	CHEMBL465606
6.52	Ki	300	nM	CHEMBL131188
6.18	Ki	660	nM	CHEMBL132768
6.07	Ki	850	nM	CHEMBL131780
5.96	IC50	1100	nM	CHEMBL2448554
5.94	IC50	1140	nM	CHEMBL465606
5.90	IC50	1250	nM	CHEMBL515528
5.57	IC50	2720	nM	POLYOZELLIN
5.37	Ki	4300	nM	CHEMBL340062

PubChem BioAssay actives

18 with measured affinity, of 39 total; 17 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
methyl 4-[[(5S)-5-(1-adamantylsulfonylamino)-6-oxo-6-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]hexyl]amino]-4-oxobutanoate	66466: Binding affinity against human Elastase	ki	0.0006	uM
benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]propan-2-yl]carbamate	66466: Binding affinity against human Elastase	ki	0.0010	uM
methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]propan-2-yl]amino]butanoate	66466: Binding affinity against human Elastase	ki	0.0140	uM
(3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide	508160: Inhibition of human Pancreatic elastase 1	ic50	0.0300	uM
tert-butyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]propan-2-yl]carbamate	66466: Binding affinity against human Elastase	ki	0.0440	uM
benzyl (2S)-2-[(2S)-2-formylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate	332190: Inhibition of Flavobacterium meningosepticum PEP	ic50	0.0516	uM
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]carbamate	66466: Binding affinity against human Elastase	ki	0.1600	uM
methyl (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-2-oxopentanoate	66466: Binding affinity against human Elastase	ki	0.2000	uM
(2S)-1-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]-N-[(2S)-4,4,4-trifluoro-3-oxobutan-2-yl]pyrrolidine-2-carboxamide	66466: Binding affinity against human Elastase	ki	0.2500	uM
methyl 3-(5,6-dihydroxy-2-methoxycarbonyl-1-benzofuran-3-yl)-5,6-dihydroxy-1-benzofuran-2-carboxylate	332190: Inhibition of Flavobacterium meningosepticum PEP	ki	0.2900	uM
ethyl (3S)-2-oxo-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]butanoate	66466: Binding affinity against human Elastase	ki	0.3000	uM
methyl 4-oxo-4-[[(2R)-1-oxo-3-phenyl-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]butanoate	66466: Binding affinity against human Elastase	ki	0.6600	uM
methyl (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2-oxobutanoate	66466: Binding affinity against human Elastase	ki	0.8500	uM
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(3S,9S,12S,15S,18S,21S,24S,27S)-12-(3-carbamimidamidopropyl)-18-(carboxymethyl)-3,15-bis[(4-hydroxyphenyl)methyl]-21,24-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontane-9-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid	332190: Inhibition of Flavobacterium meningosepticum PEP	ic50	1.1000	uM
[4-acetyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] acetate	332190: Inhibition of Flavobacterium meningosepticum PEP	ic50	1.2500	uM
(12-acetyloxy-6,7,16,17-tetrahydroxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-2-yl) acetate	332190: Inhibition of Flavobacterium meningosepticum PEP	ic50	2.7200	uM
ethyl (4S)-2,2-difluoro-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-methyl-3-oxohexanoate	66466: Binding affinity against human Elastase	ki	4.3000	uM

CTD chemical–gene interactions

5 total (human), top 5 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
4-aminophenylarsenoxide	affects binding, decreases reaction	1
Arsenic Trioxide	decreases reaction, affects binding	1
Air Pollutants, Occupational	affects expression	1
Cadmium	decreases expression	1
Sodium Selenite	decreases expression	1

ChEMBL screening assays

9 unique, capped per target: 9 binding

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL1019928	Binding	Inhibition of Flavobacterium meningosepticum PEP at 12.2 uM relative to control	A prolyl endopeptidase-inhibiting benzofuran dimer from Polyozellus multiflex. — J Nat Prod

Clinical trials (associated diseases)

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