Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50048317'   

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 (Oryctolagus cuniculus)	BDBM50048317 ((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-p...) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(CCCC1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C24H28N2O5S/c27-18-10-8-17(9-11-18)14-19(22(29)30)25-23(31)24(12-4-5-13-24)26-21(28)20(32)15-16-6-2-1-3-7-16/h1-3,6-11,19-20,27,32H,4-5,12-15H2,(H,25,31)(H,26,28)(H,29,30)/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 38: 5023-30 (1996) BindingDB Entry DOI: 10.7270/Q26D5TMH
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