Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 348.4 BDBM50280859

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))	BDBM50280859 ((S)-3-(1H-Indol-3-yl)-2-(2-mercaptomethyl-4-methyl...) Show SMILES CC(C)CC(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C18H24N2O3S/c1-11(2)7-13(10-24)17(21)20-16(18(22)23)8-12-9-19-15-6-4-3-5-14(12)15/h3-6,9,11,13,16,19,24H,7-8,10H2,1-2H3,(H,20,21)(H,22,23)/t13?,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of putative Endothelin-converting enzyme partially purified from rabbit lung membranes				Bioorg Med Chem Lett 3: 1953-1958 (1993) Article DOI: 10.1016/S0960-894X(01)80994-X BindingDB Entry DOI: 10.7270/Q2057GD5
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