BDBM50400272 CHEMBL2180727

SMILES Cc1nccn1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1

InChI Key InChIKey=FNYGWXSATBUBER-UHFFFAOYSA-N

Data  21 IC50  6 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50400272   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 390nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataKd:  9.80E+4nMAssay Description:Binding affinity to human recombinant IDH1 R132H mutant expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by non-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataKd:  6.08E+5nMAssay Description:Binding affinity to human recombinant IDH1 expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by non-denaturing ma...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataKd:  8.60E+3nMAssay Description:Binding affinity to recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation const...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataKd:  9.10E+3nMAssay Description:Binding affinity to recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataKd: >4.00E+5nMAssay Description:Binding affinity to recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation const...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataKd: >4.00E+5nMAssay Description:Binding affinity to recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 61nMAssay Description:Inhibition of recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using 2OG as substrate assessed as 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using DL-isocitrste as substrate assesse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of IDH2 R172K mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of IDH2 R140Q mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of wild type IDH2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of wild type IDH1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 170nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-fused wild-type IDH1 using sodium (D)-isocitrate as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetHexokinase-4(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-fused glucokinase expressed in Escherichia coli using glucose-6-phosphatedehydrogenase as substrate by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-fused wild-type IDH2 using sodium (D)-isocitrate as substrate preincubated for 15 mins followed by sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 227nMAssay Description:Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 20nMAssay Description:Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 186nMAssay Description:Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 200nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins followed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 82nMAssay Description:Inhibition of N-terminal 6-His-tagged IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 cells using alpha-KG as substrate in pres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic/ mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 250nMAssay Description:Inhibition of IDH1/2 in human U87-MG cells assessed as suppression of 2-HG production incubated for 48 hrs by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 250nMAssay Description:Inhibition of IDH1 R132H mutant in human HT-1080 cells assessed as suppression of 2-HG production incubated for 48 hrs by LC-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 160nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shandong Provincial Hospital Affiliated To Shandong University

Curated by ChEMBL
LigandPNGBDBM50400272(CHEMBL2180727)
Affinity DataIC50: 70nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed