null

SMILES CC(C)CCOc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC[C@@H](CC(O)=O)C1

InChI Key

  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 = 50550471   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))TBA
LigandPNGBDBM50550471(CHEMBL4763449)copy SMILES
Affinity DataIC50: 8.50E+3nMAssay Description:Allosteric inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293T cells assessed as reduction in 2-HG production incubated for 48 hrs ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2G73JBMPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))TBA
LigandPNGBDBM50550471(CHEMBL4763449)copy SMILES
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2G73JBMPubMed