Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50056253'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50056253 ((6S,9S)-9-Mercaptomethyl-8-oxo-6,7,8,9,10,11,12,13...) Show SMILES OC(=O)[C@@H]1Cc2ccccc2CCCCCC[C@H](CS)C(=O)N1 Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)10-4-2-1-3-7-13-8-5-6-9-14(13)11-16(19-17)18(21)22/h5-6,8-9,15-16,23H,1-4,7,10-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/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	725	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
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