BDBM488207 2-(5-(cyclopropylmethyl)- 3-(4-fluoro-3-((5- methylthiophen-2-yl)ethynyl) phenyl)-4-(3-fluoro-4- sulfamoylbenzyl)-1H-pyrazol-1- yl)thiazole-4-carboxamide; 1H-NMR (d6-DMSO) 948; 8.13 (s, 1H), 7.75-7.54 (m, 3H), 7.62 (s, 2H), 7.38 (tr, 1H, J = 16 Hz), 7.36 (d, 1H, J = 4 Hz), 7.15 (d, 1H, J = 12 Hz), 7.06 (d, 1H, J = 8 Hz), 6.85 (d, 1H, J = 4 Hz), 4.18 (s, 2H), 3.18- 315 (m, 2H), 2.5 (s, 3H), 1.18-1.15 (m, 1H), 0.34-0.32 (m, 2H), 0.19-0.17 (m, 2H); MS (ES) 651.1 [M + H)+,::US10954228, Compound 162

SMILES Cc1ccc(s1)C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)[SH+](N)=O)-c1nc(cs1)C(N)=O

InChI Key InChIKey=RKICAJZQPDFUPI-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 = 488207   

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

US Patent
LigandPNGBDBM488207(2-(5-(cyclopropylmethyl)- 3-(4-fluoro-3-((5- methy...)
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