Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50048313'   

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)	BDBM50048313 ((S)-3-(4-Hydroxy-phenyl)-2-{[1-((S)-2-mercapto-3-m...) Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C21H30N2O5S/c1-13(2)17(29)18(25)23-21(10-4-3-5-11-21)20(28)22-16(19(26)27)12-14-6-8-15(24)9-7-14/h6-9,13,16-17,24,29H,3-5,10-12H2,1-2H3,(H,22,28)(H,23,25)(H,26,27)/t16-,17-/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	33	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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