Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50020769'   

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 (Oryctolagus cuniculus)	BDBM50020769 (CHEMBL345858 | [Bicyclo[2.2.1]hept-2-yl-(3-mercapt...) Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CC2CCC1C2 |THB:6:11:17:15.14| Show InChI InChI=1S/C13H21NO3S/c1-8(7-18)13(17)14(6-12(15)16)11-5-9-2-3-10(11)4-9/h8-11,18H,2-7H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3				J Med Chem 28: 57-66 (1985) BindingDB Entry DOI: 10.7270/Q2M90975
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