Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50051796'   

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 (Rattus norvegicus)	BDBM50051796 ((2S,5R)-5-(2-Hydroxy-phenyl)-1-{2-[(S)-2-mercapto-...) Show SMILES COc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2O)C(O)=O)cc1 Show InChI InChI=1S/C23H26N2O6S/c1-31-15-8-6-14(7-9-15)12-20(32)22(28)24-13-21(27)25-17(10-11-18(25)23(29)30)16-4-2-3-5-19(16)26/h2-9,17-18,20,26,32H,10-13H2,1H3,(H,24,28)(H,29,30)/t17-,18+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of rat angiotensin I converting enzyme				J Med Chem 39: 2594-608 (1996) Article DOI: 10.1021/jm950783c BindingDB Entry DOI: 10.7270/Q25B0353
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