Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 592.7 BDBM50171643

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50171643 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccccc2F)cc1 Show InChI InChI=1S/C32H37FN4O4S/c1-5-6-17-42(40,41)36-25-13-11-24(12-14-25)35-31(39)29-19-23-18-26(34-30(38)20-32(2,3)4)15-16-28(23)37(29)21-22-9-7-8-10-27(22)33/h7-16,18-19,36H,5-6,17,20-21H2,1-4H3,(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	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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