Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM287905
Substrate
n/a
Meas. Tech.
R132H IDH1 Enzymatic Assay
IC50
5126±n/a nM
Citation
Fischer, C; Bogen, SL; Childers, ML; Fradera Llinas, FX; Ellis, JM; Esposite, S; Hoffman, DM; Huang, C; Kattar, SD; Kim, AJ; Lampe, JW; Machacek, MR; McMasters, DR; Parker, Jr., DL; Reutershan, MH; Sciammetta, N; Shao, PP; Sloman, DL; Sun, W; Ujjainwalla, F; Wu, Z; Yu, Y; Gibeau, CR Tricyclic compounds as inhibitors of mutant IDH enzymes US Patent US10508108 Publication Date 12/17/2019
More Info.:
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:
BDBM287905
Synonyms:
6-[(8-Morpholin-4-yl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)carbonyl]spiro[3.3]heptan-2-one | US10086000, Example 122 | US10508108, Example 122
Type:
Small organic molecule
Emp. Form.:
C24H26N4O3
Mol. Mass.:
418.4882
SMILES:
O=C(C1CC2(C1)CC(=O)C2)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1