Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50303330'   

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))	BDBM50303330 ((2S)-2-{[3-(1,1'-Biphenyl)-2-{[hydroxyl(2-phenyl-(...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C43H42N3O7P/c47-41(45-39(42(48)49)26-35-27-44-38-19-11-10-18-37(35)38)36(24-31-20-22-34(23-21-31)33-16-8-3-9-17-33)29-54(51,52)40(25-30-12-4-1-5-13-30)46-43(50)53-28-32-14-6-2-7-15-32/h1-23,27,36,39-40,44H,24-26,28-29H2,(H,45,47)(H,46,50)(H,48,49)(H,51,52)/t36?,39-,40+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic ACE C-terminal domain				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
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