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SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O

InChI Key

  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 = 375149   

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

LigandPNGBDBM375149(6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9)copy SMILES
Affinity DataIC50: 55nMAssay 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

LigandPNGBDBM375149(6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9)copy SMILES
Affinity DataIC50: 55nMAssay 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(Homo sapiens (Human))
Forma Therapeutics, Inc.

Curated by ChEMBL
LigandPNGBDBM375149(6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9)copy SMILES
Affinity DataIC50: 606nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132C mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VD72TRPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Vanderbilt University School of Medicine

LigandPNGBDBM375149(6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9)copy SMILES
Affinity DataIC50: 1.00E+3nMAssay 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(Homo sapiens (Human))
Forma Therapeutics, Inc.

Curated by ChEMBL
LigandPNGBDBM375149(6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9)copy SMILES
Affinity DataIC50: 147nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VD72TRPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Vanderbilt University School of Medicine

LigandPNGBDBM375149(6-{[1-(6-chloro-2-oxo- | US10253015, Compound I-9)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