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SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)ncc1C#N

InChI Key

  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 = 375165   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Vanderbilt University School of Medicine

LigandPNGBDBM375165(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)copy SMILES
Affinity DataIC50: 10nMAssay Description:Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23F4S02US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Vanderbilt University School of Medicine

LigandPNGBDBM375165(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)copy SMILES
Affinity DataIC50: 550nMAssay Description:HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23F4S02US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Vanderbilt University School of Medicine

LigandPNGBDBM375165(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)copy SMILES
Affinity DataIC50: 55nMAssay Description:HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23F4S02US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Vanderbilt University School of Medicine

LigandPNGBDBM375165(6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...)copy SMILES
Affinity DataIC50: 10nMAssay Description:Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23F4S02US Patent