Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-converting enzyme 1' and Ligand = 'BDBM50171616'   

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))	BDBM50171616 (5-(3,3-Dimethyl-thiobutyrylamino)-1-(2-fluoro-benz...) Show SMILES CC(C)(C)CC(=S)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H28FN3OS/c1-28(2,3)17-26(34)30-22-13-14-24-20(15-22)16-25(27(33)31-21-10-5-4-6-11-21)32(24)18-19-9-7-8-12-23(19)29/h4-16H,17-18H2,1-3H3,(H,30,34)(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate				Bioorg Med Chem Lett 15: 4201-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.085 BindingDB Entry DOI: 10.7270/Q2H994R9
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