BDBM50507201 CHEMBL4444255

SMILES [H][C@@]1(COC(=O)N1c1ccnc(NC2(CCC2)c2cn(cn2)-c2ccc(F)c(Cl)c2)n1)[C@H](C)F

InChI Key InChIKey=BHUUINRBENUDAJ-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 2 hits for monomerid = 50507201   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shanghai Haihe Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50507201(CHEMBL4444255)
Affinity DataIC50: 21nMAssay Description:Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as inhibition of 2HG production after 48 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shanghai Haihe Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50507201(CHEMBL4444255)
Affinity DataIC50: 40nMAssay Description:Inhibition of IDH1 (unknown origin) R132H mutant using alpha-KG as substrate after 60 mins in presence of NADPH by resazurin dye-based fluorescence a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed