BDBM50529021 CHEMBL4467991

SMILES [H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2cc(Cl)ccc-32)n1)[C@H](C)F

InChI Key InChIKey=MECFFGDOQWOPHD-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50529021   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50529021(CHEMBL4467991)
Affinity DataIC50: 2.30nMAssay Description:Inhibition of recombinant human C-terminal His8-tagged IDH1 R132H mutant expressed in Escherichia coli BL21 assessed as reduction in NADPH consumptio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50529021(CHEMBL4467991)
Affinity DataIC50: 54nMAssay Description:Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-HG production incubated with compound for 48 hrs by D2HG assay kit b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50529021(CHEMBL4467991)
Affinity DataIC50: 15nMAssay Description:Inhibition of recombinant human C-terminal His8-tagged IDH1 R132C mutant expressed in Escherichia coli BL21 assessed as reduction in NADPH consumptio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed