Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50406908'   

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))	BDBM50406908 (CHEMBL78629) Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H31N3O8/c35-27(34-25-14-8-7-13-22(25)18-26(34)30(39)40)16-15-23(29(37)38)32-28(36)24(17-20-9-3-1-4-10-20)33-31(41)42-19-21-11-5-2-6-12-21/h1-14,23-24,26H,15-19H2,(H,32,36)(H,33,41)(H,37,38)(H,39,40)/t23-,24?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
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