Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50406375'   

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))	BDBM50406375 (CHEMBL35682) Show SMILES COc1ccc(cc1OC)N(CC(O)=O)C(=O)[C@H](CCCCN)OP(O)(=O)CCCCc1ccccc1 Show InChI InChI=1S/C26H37N2O8P/c1-34-22-15-14-21(18-24(22)35-2)28(19-25(29)30)26(31)23(13-6-8-16-27)36-37(32,33)17-9-7-12-20-10-4-3-5-11-20/h3-5,10-11,14-15,18,23H,6-9,12-13,16-17,19,27H2,1-2H3,(H,29,30)(H,32,33)/t23-/m0/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	0.288	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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