BDBM278640 US10040791, Example 102

SMILES OC(=O)\C=C\c1cccc2n(ccc12)C(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CCN(CC1)C(=O)C=C

InChI Key InChIKey=WRWLWJJKRVPXGR-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 278640   

LigandPNGBDBM278640(US10040791, Example 102)
Affinity DataIC50: 0.349nMAssay Description:Inhibition of human wild type IDH1 R132H mutant expressed in Escherichia coli BL21 (DE3) cells incubated for 60 mins by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM278640(US10040791, Example 102)
Affinity DataIC50: 0.440nMAssay Description:Inhibition of human wild type IDH1 R132C mutant expressed in Escherichia coli BL21 (DE3) cells incubated for 60 mins by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Daiichi Sankyo

US Patent
LigandPNGBDBM278640(US10040791, Example 102)
Affinity DataIC50: 53nMpH: 7.5 T: 2°CAssay Description:The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2018
Entry Details
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Daiichi Sankyo

US Patent
LigandPNGBDBM278640(US10040791, Example 102)
Affinity DataIC50: 117nMpH: 7.5 T: 2°CAssay Description:The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2018
Entry Details
US Patent