Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50266175'   

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))	BDBM50266175 ((R)-3-(4-cyclohexylbenzylthio)-2-((S)-3-mercapto-2...) Show SMILES C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(cc1)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C20H29NO3S2/c1-14(11-25)19(22)21-18(20(23)24)13-26-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h7-10,14,16,18,25H,2-6,11-13H2,1H3,(H,21,22)(H,23,24)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of angiotensin-converting enzyme (unknown origin) in whole blood by HPLC				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
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