BDBM50119746 2-{[1-((S)-3-Cyclohexyl-2-mercapto-propionylamino)-cyclopentanecarbonyl]-amino}-3-(6-thiophen-3-yl-pyridin-3-yl)-propionic acid::CHEMBL319463

SMILES: OC(=O)C(Cc1ccc(nc1)-c1ccsc1)NC(=O)C1(CCCC1)NC(=O)[C@@H](S)CC1CCCCC1

InChI Key: InChIKey=SRCXNJMRCQLQHK-WCSIJFPASA-N

Data: 2 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 2 hits for monomerid = 50119746   

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 (Homo sapiens (Human))	BDBM50119746 (2-{[1-((S)-3-Cyclohexyl-2-mercapto-propionylamino)...) Show SMILES OC(=O)C(Cc1ccc(nc1)-c1ccsc1)NC(=O)C1(CCCC1)NC(=O)[C@@H](S)CC1CCCCC1 Show InChI InChI=1S/C27H35N3O4S2/c31-24(23(35)15-18-6-2-1-3-7-18)30-27(11-4-5-12-27)26(34)29-22(25(32)33)14-19-8-9-21(28-16-19)20-10-13-36-17-20/h8-10,13,16-18,22-23,35H,1-7,11-12,14-15H2,(H,29,34)(H,30,31)(H,32,33)/t22?,23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) endothelin converting enzyme-1				Citation and Details Article DOI: 10.1007/s00044-012-0433-z BindingDB Entry DOI: 10.7270/Q2S185DK
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50119746 (2-{[1-((S)-3-Cyclohexyl-2-mercapto-propionylamino)...) Show SMILES OC(=O)C(Cc1ccc(nc1)-c1ccsc1)NC(=O)C1(CCCC1)NC(=O)[C@@H](S)CC1CCCCC1 Show InChI InChI=1S/C27H35N3O4S2/c31-24(23(35)15-18-6-2-1-3-7-18)30-27(11-4-5-12-27)26(34)29-22(25(32)33)14-19-8-9-21(28-16-19)20-10-13-36-17-20/h8-10,13,16-18,22-23,35H,1-7,11-12,14-15H2,(H,29,34)(H,30,31)(H,32,33)/t22?,23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of Endothelin-converting enzyme 1.				Bioorg Med Chem Lett 12: 3059-62 (2002) BindingDB Entry DOI: 10.7270/Q26D5SCZ
					More data for this Ligand-Target Pair