BDBM50550449 CHEMBL4797648

SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)c(OCCC(C)C)n1

InChI Key InChIKey=VKBDMXNIXDKESM-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50550449   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50550449(CHEMBL4797648)
Affinity DataIC50: 4.40E+3nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed