BDBM377595 4-{[(6-chloro-2-oxo-1,2-::US10266495, Compound I-7

SMILES COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl

InChI Key InChIKey=DHTDEOJRSYUVPD-UHFFFAOYSA-N

Data  10 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 377595   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Sunshine Lake Pharma

US Patent
LigandPNGBDBM377595(US10266495, Compound I-7 | 4-{[(6-chloro-2-oxo-1,2...)
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
In Depth
Date in BDB:
2/7/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Sunshine Lake Pharma

US Patent
LigandPNGBDBM377595(US10266495, Compound I-7 | 4-{[(6-chloro-2-oxo-1,2...)
Affinity DataIC50: 1.00E+3nMAssay 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
In Depth
Date in BDB:
2/7/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM377595(US10266495, Compound I-7 | 4-{[(6-chloro-2-oxo-1,2...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of wild-type IDH1 (unknown origin) by NADPH fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM377595(US10266495, Compound I-7 | 4-{[(6-chloro-2-oxo-1,2...)
Affinity DataIC50: 1.92E+3nMAssay 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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM377595(US10266495, Compound I-7 | 4-{[(6-chloro-2-oxo-1,2...)
Affinity DataIC50: 1.25E+3nMAssay 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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM377595(US10266495, Compound I-7 | 4-{[(6-chloro-2-oxo-1,2...)
Affinity DataIC50: 127nMAssay 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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM377595(US10266495, Compound I-7 | 4-{[(6-chloro-2-oxo-1,2...)
Affinity DataIC50: 266nMAssay 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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM377595(US10266495, Compound I-7 | 4-{[(6-chloro-2-oxo-1,2...)
Affinity DataIC50: 316nMAssay 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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM377595(US10266495, Compound I-7 | 4-{[(6-chloro-2-oxo-1,2...)
Affinity DataIC50: 2.25E+3nMAssay 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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM377595(US10266495, Compound I-7 | 4-{[(6-chloro-2-oxo-1,2...)
Affinity DataIC50: 127nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)