Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM287785
Substrate
n/a
Meas. Tech.
R132H IDH1 Enzymatic Assay
pH
7±n/a
Temperature
298.15±n/a K
IC50
3.00±n/a nM
Comments
extracted
Citation
 Fischer, C; Bogen, SL; Childers, ML; Fradera Llinas, FX; Kim, AJ; Lampe, JW; Machacek, MR; McMasters, DR; Parker, Jr., DL; Sciammetta, N; Shao, PP; Sloman, DL; Sun, W; Ujjainwalla, F; Huang, C Tricyclic compounds as inhibitors of mutant IDH enzymes US Patent  US10086000 Publication Date 10/2/2018 
Target
Name:
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Synonyms:
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) | IDH1 | IDH1 R132H | IDH1(R132H) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132H) | Isocitrate dehydrogenase 1 mutant (R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (R132H) | PICD
Type:
Protein
Mol. Mass.:
46641.74
Organism:
Homo sapiens (Human)
Description:
Human IDH1 R132H (SEQ ID No. 2 in patent). First three are removed. Google patent parsed wrong.
Residue:
414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGHHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM287785
Synonyms:
2-Methyl-2-[6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylcarbonyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]propanenitrile | US10086000, Example 3 | US10086000, Example 63 | US10508108, Example 63
Type:
Small organic molecule
Emp. Form.:
C28H28N4O
Mol. Mass.:
436.5481
SMILES:
CC(C)(C#N)c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1
Structure:
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