Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50038615'   

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))	BDBM50038615 (2-(2-Benzyl-3-mercapto-5-phenyl-pentanoylamino)-pr...) Show SMILES CC(NC(=O)C(Cc1ccccc1)C(S)CCc1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-15(21(24)25)22-20(23)18(14-17-10-6-3-7-11-17)19(26)13-12-16-8-4-2-5-9-16/h2-11,15,18-19,26H,12-14H2,1H3,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibitory potency against Angiotensin I Converting Enzyme				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50038615 (2-(2-Benzyl-3-mercapto-5-phenyl-pentanoylamino)-pr...) Show SMILES CC(NC(=O)C(Cc1ccccc1)C(S)CCc1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-15(21(24)25)22-20(23)18(14-17-10-6-3-7-11-17)19(26)13-12-16-8-4-2-5-9-16/h2-11,15,18-19,26H,12-14H2,1H3,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated by inhibiting 50% of Angiotensin I Converting Enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate				J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK
					More data for this Ligand-Target Pair