Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-converting enzyme 1' and Ligand = 'BDBM50091884'   

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
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50091884 ((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-3-phenyl...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C1(CCCC1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C30H32N2O4S/c33-27(26(37)20-21-9-3-1-4-10-21)32-30(17-7-8-18-30)29(36)31-25(28(34)35)19-22-13-15-24(16-14-22)23-11-5-2-6-12-23/h1-6,9-16,25-26,37H,7-8,17-20H2,(H,31,36)(H,32,33)(H,34,35)/t25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of human Endothelin converting Enzyme-1 activity				Bioorg Med Chem Lett 10: 2037-9 (2001) BindingDB Entry DOI: 10.7270/Q2K35SW0
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