null

SMILES C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F

InChI Key InChIKey=TXJIZORMCOMGCK-NVGCLXPQSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 247843   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
NOVARTIS AG

US Patent
LigandPNGBDBM247843(US10112931, Example 450 | US9434719, 450 as TFA sa...)copy SMILEScopy InChI
Affinity DataIC50: 16nMpH: 7.5 T: 2°CAssay Description:The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QV3KFRUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
NOVARTIS AG

US Patent
LigandPNGBDBM247843(US10112931, Example 450 | US9434719, 450 as TFA sa...)copy SMILEScopy InChI
Affinity DataIC50: 22nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) expressed in HCT116 cells assessed as reduction in 2-HG levels after 48 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SB48CZPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
NOVARTIS AG

US Patent
LigandPNGBDBM247843(US10112931, Example 450 | US9434719, 450 as TFA sa...)copy SMILEScopy InChI
Affinity DataIC50: 16nMpH: 7.5 T: 2°CAssay Description:The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PG1TRTUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
NOVARTIS AG

US Patent
LigandPNGBDBM247843(US10112931, Example 450 | US9434719, 450 as TFA sa...)copy SMILEScopy InChI
Affinity DataIC50: 16nMpH: 7.5 T: 2°CAssay Description:The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide pho...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2251GBMUS Patent