Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.5 BDBM50287863

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))	BDBM50287863 ((S)-3-(1H-Indol-3-yl)-2-((R)-2-mercaptomethyl-3-ph...) Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)Cc1ccccc1 Show InChI InChI=1S/C22H24N2O3S/c1-27-22(26)20(12-16-13-23-19-10-6-5-9-18(16)19)24-21(25)17(14-28)11-15-7-3-2-4-8-15/h2-10,13,17,20,23,28H,11-12,14H2,1H3,(H,24,25)/t17-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.50E+3	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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