Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 449.5 BDBM50287874

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 (Rattus norvegicus (Rat))	BDBM50287874 ((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...) Show SMILES COc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C26H27NO4S/c1-31-23-13-11-21(12-14-23)20-9-7-19(8-10-20)16-24(26(29)30)27-25(28)22(17-32)15-18-5-3-2-4-6-18/h2-14,22,24,32H,15-17H2,1H3,(H,27,28)(H,29,30)/t22-,24+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Endothelin-converting enzyme 1 from rat lungs.				Bioorg Med Chem Lett 6: 2317-2322 (1996) Article DOI: 10.1016/0960-894X(96)00420-9 BindingDB Entry DOI: 10.7270/Q27M07X0
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