BDBM409994 US10370339, Example 2-1::US10370339, Example 2-4::methyl 1-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]-2-{[4-(trifluoromethoxy)-phenyl]amino}-1H-benzimidazole-5-carboxylate

SMILES COC(=O)c1ccc2n([C@@H]3C[C@H](C)CC[C@H]3C(C)C)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1

InChI Key InChIKey=ABFCTOUWEVWWGD-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 409994   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM409994(methyl 1-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexy...)
Affinity DataIC50: 38nMAssay Description:Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/6/2020
Entry Details
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM409994(methyl 1-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexy...)
Affinity DataIC50: 120nMAssay Description:Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/6/2020
Entry Details
US Patent