BDBM50509372 CHEMBL4562901

SMILES [H][C@]12O[C@]([H])(c3c1c(C)c(O)c(OC)c3O)[C@@]1([H])C(=O)[C@H](O)CC\C(C)=C\[C@@]3([H])C=C(C)[C@@H](C)[C@@]4([H])[C@H](CC(C)C)NC(=O)[C@@]34C(=O)[C@]21[H]

InChI Key InChIKey=RDSYSQGGMSQWHA-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 = 50509372   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Huazhong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50509372(CHEMBL4562901)
Affinity DataIC50: 1.33E+4nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins followed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed