BDBM383753 US10280150, Cmpd No I-36::US10550099, Compound I-156

SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N

InChI Key

Data  20 IC50

  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 20 hits for monomerid = 383753   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Tm2

US Patent
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50: <100nMAssay 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 US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  81nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Tm2

US Patent
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50: <100nMAssay 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 US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  550nMAssay 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 US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Forma Tm2

US Patent
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50: <100nMAssay 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 US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  550nMAssay 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 US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  130nMAssay 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 ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of human ERG by patch clamp methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of wild-type IDH1 (unknown origin) by NADPH fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  45nMAssay Description:Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  120nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132G mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  60nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132L mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  1.49E+3nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132S mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  3.38E+4nMAssay Description:Inhibition of IDH2 R172K mutant (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  7.66E+4nMAssay Description:Inhibition of IDH2 R140Q mutant (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  18nMAssay 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 ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  18nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132H mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  233nMAssay Description:Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Indian Institute Of Technology (B.H.U.)

Curated by ChEMBL
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  130nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132C mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Forma Therapeutics

US Patent
LigandPNGBDBM383753(US10280150, Cmpd No I-36 | US10550099, Compound I-...)
Affinity DataIC50:  550nMAssay 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 US Patent