Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.5 BDBM50171641

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))	BDBM50171641 (5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-...) Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1ccc(N)cn1 Show InChI InChI=1S/C27H28FN5O2/c1-27(2,3)14-25(34)31-20-9-10-22-18(12-20)13-23(26(35)32-24-11-8-19(29)15-30-24)33(22)16-17-6-4-5-7-21(17)28/h4-13,15H,14,16,29H2,1-3H3,(H,31,34)(H,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	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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