BDBM415798 US10442772, Example 2-169-1

SMILES COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1CCC(O)=O

InChI Key InChIKey=RRIGKXHXERNTDY-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 = 415798   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM415798(US10442772, Example 2-169-1)
Affinity DataIC50: 20nMAssay Description:The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 μL and the following assay buffer conditions...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM415798(US10442772, Example 2-169-1)
Affinity DataIC50: 10nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate by by luminescence based assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed