null

SMILES C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)F)n1

InChI Key InChIKey=RJYKUROAIMWHTJ-GDZNZVCISA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 247849   

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

US Patent
LigandPNGBDBM247849(US10112931, Example 456 | US9434719, 456 | US96886...)copy SMILEScopy InChI
Affinity DataIC50: 1nMpH: 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 [R132H](Homo sapiens (Human))
NOVARTIS AG

US Patent
LigandPNGBDBM247849(US10112931, Example 456 | US9434719, 456 | US96886...)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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
NOVARTIS AG

US Patent
LigandPNGBDBM247849(US10112931, Example 456 | US9434719, 456 | US96886...)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay 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
LigandPNGBDBM247849(US10112931, Example 456 | US9434719, 456 | US96886...)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
LigandPNGBDBM247849(US10112931, Example 456 | US9434719, 456 | US96886...)copy SMILEScopy InChI
Affinity DataIC50: 1nMpH: 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
LigandPNGBDBM247849(US10112931, Example 456 | US9434719, 456 | US96886...)copy SMILEScopy InChI
Affinity DataIC50: 1nMpH: 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