BDBM488186 2-(5-(cyclopropylmethyl)-3-(6-fluoro- 3'-methyl-[1,1'- biphenyl]-3-yl)-4- (3-fluoro-4-sulfamoylbenzyl)-1H- (MeOD) 948; 8.17 (s, 1H), 7.77 (t, J = 15.8 Hz, 1H), 7.59-7.63 (m, 1H), 7.54-7.56 (m, 1H) 7.31 (t, J = 16 Hz, 1H), 7.08-7.23 (m, 7H), 4.19 (s, 2H), 3.32 (d, J = 4 Hz, 2H), 2.35 (s, 3H), 1.11-1.14 (m, 1H), 0.39-0.41 (m, 2H), 0.24-0.25 (m, 2H); MS (ES) m/z 621 [M + H]+;::US10954228, Compound 141

SMILES Cc1cccc(c1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)[SH+](N)=O)-c1nc(cs1)C(O)=O

InChI Key InChIKey=PSXKBJNYCUPECD-UHFFFAOYSA-O

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 488186   

TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
The Trustees of The University of Pennsylvania

US Patent
LigandPNGBDBM488186(2-(5-(cyclopropylmethyl)-3-(6-fluoro- 3'-methyl-[1...)
Affinity DataIC50: <100nMAssay Description:Test compounds were placed in a Greiner Bio-One (Monroe, N.C.) 1536-well black solid bottom assay plate. 200 millimolar (mM) Tris HCl, pH 7.4, 100 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent