BDBM50629864 CHEMBL5425749

SMILES CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2)N2CCC(CC2)NS(=O)(=O)C=C)ncc1F

InChI Key InChIKey=ZUPHYBXQUOQKRE-UHFFFAOYSA-N

Data  1 KI  7 IC50

  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 8 hits for monomerid = 50629864   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50629864(CHEMBL5425749)
Affinity DataIC50: 4.70nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50629864(CHEMBL5425749)
Affinity DataIC50: 28nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293T cells assessed as inhibition of 2-HG generation measured after 48 hrs by LC-MS/...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50629864(CHEMBL5425749)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of wild type IDH1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50629864(CHEMBL5425749)
Affinity DataIC50: 139nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50629864(CHEMBL5425749)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of wild type IDH2 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50629864(CHEMBL5425749)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of IDH2 R172K mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50629864(CHEMBL5425749)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of IDH2 R140Q mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50629864(CHEMBL5425749)
Affinity DataKi:  37nMAssay Description:Reversible binding affinity to IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed