BDBM50021296 1-(2-Benzoylsulfanyl-cyclopentanecarbonyl)-pyrrolidine-2-carboxylic acid::CHEMBL136015

SMILES: OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1SC(=O)c1ccccc1

InChI Key: InChIKey=JOAYRZNLIOEINU-SOUVJXGZSA-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 = 50021296   

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
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50021296 (1-(2-Benzoylsulfanyl-cyclopentanecarbonyl)-pyrroli...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1SC(=O)c1ccccc1 Show InChI InChI=1S/C18H21NO4S/c20-16(19-11-5-9-14(19)17(21)22)13-8-4-10-15(13)24-18(23)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2,(H,21,22)/t13-,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of angiotensin I converting enzyme in silico				J Med Chem 40: 3161-72 (1997) Article DOI: 10.1021/jm970211n BindingDB Entry DOI: 10.7270/Q2MG7QPB
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50021296 (1-(2-Benzoylsulfanyl-cyclopentanecarbonyl)-pyrroli...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1SC(=O)c1ccccc1 Show InChI InChI=1S/C18H21NO4S/c20-16(19-11-5-9-14(19)17(21)22)13-8-4-10-15(13)24-18(23)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2,(H,21,22)/t13-,14-,15+/m0/s1	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme				J Med Chem 29: 411-7 (1986) BindingDB Entry DOI: 10.7270/Q218372M
					More data for this Ligand-Target Pair