Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50039518'   

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)	BDBM50039518 ((S)-3-Benzylsulfanyl-2-((S)-3-mercapto-2-methyl-pr...) Show SMILES C[C@H](CS)C(=O)N[C@H](CSCc1ccccc1)C(O)=O Show InChI InChI=1S/C14H19NO3S2/c1-10(7-19)13(16)15-12(14(17)18)9-20-8-11-5-3-2-4-6-11/h2-6,10,12,19H,7-9H2,1H3,(H,15,16)(H,17,18)/t10-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested in vitro for its inhibitory activity against angiotensin converting enzyme				J Med Chem 37: 2461-76 (1994) BindingDB Entry DOI: 10.7270/Q2571B20
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