BDBM50159363 CHEMBL177000::methyl 2-(2-{N-methyl-1-[(4R)-1-(naphthalene-2-sulfonyl)-4-sulfanylpyrrolidin-2-yl]formamido}acetamido)benzoate

SMILES: COC(=O)c1ccccc1NC(=O)CN(C)C(=O)C1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=XQPOFONTMJXZRQ-HWYAHNCWSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50159363   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50159363 (CHEMBL177000 | methyl 2-(2-{N-methyl-1-[(4R)-1-(na...) Show SMILES COC(=O)c1ccccc1NC(=O)CN(C)C(=O)C1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H27N3O6S2/c1-28(16-24(30)27-22-10-6-5-9-21(22)26(32)35-2)25(31)23-14-19(36)15-29(23)37(33,34)20-12-11-17-7-3-4-8-18(17)13-20/h3-13,19,23,36H,14-16H2,1-2H3,(H,27,30)/t19-,23?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pathology Curated by ChEMBL					Assay Description Inhibitory concentration against human ECE-1 expressed in MDCK cells				J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50159363 (CHEMBL177000 | methyl 2-(2-{N-methyl-1-[(4R)-1-(na...) Show SMILES COC(=O)c1ccccc1NC(=O)CN(C)C(=O)C1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H27N3O6S2/c1-28(16-24(30)27-22-10-6-5-9-21(22)26(32)35-2)25(31)23-14-19(36)15-29(23)37(33,34)20-12-11-17-7-3-4-8-18(17)13-20/h3-13,19,23,36H,14-16H2,1-2H3,(H,27,30)/t19-,23?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	80.8	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pathology Curated by ChEMBL					Assay Description Inhibitory concentration against human ECE-1 by RIA				J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50159363 (CHEMBL177000 | methyl 2-(2-{N-methyl-1-[(4R)-1-(na...) Show SMILES COC(=O)c1ccccc1NC(=O)CN(C)C(=O)C1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H27N3O6S2/c1-28(16-24(30)27-22-10-6-5-9-21(22)26(32)35-2)25(31)23-14-19(36)15-29(23)37(33,34)20-12-11-17-7-3-4-8-18(17)13-20/h3-13,19,23,36H,14-16H2,1-2H3,(H,27,30)/t19-,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pathology Curated by ChEMBL					Assay Description Inhibitory concentration against human angiotensin I converting enzyme				J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50159363 (CHEMBL177000 | methyl 2-(2-{N-methyl-1-[(4R)-1-(na...) Show SMILES COC(=O)c1ccccc1NC(=O)CN(C)C(=O)C1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H27N3O6S2/c1-28(16-24(30)27-22-10-6-5-9-21(22)26(32)35-2)25(31)23-14-19(36)15-29(23)37(33,34)20-12-11-17-7-3-4-8-18(17)13-20/h3-13,19,23,36H,14-16H2,1-2H3,(H,27,30)/t19-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pathology Curated by ChEMBL					Assay Description Inhibitory concentration against Neprilysin				J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H
					More data for this Ligand-Target Pair