Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM116257
Substrate
n/a
Meas. Tech.
Inhibition of Cellular Release of Amyloid Peptide 1-40
IC50
3.00±n/a nM
Citation
 Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Heterocyclic derivatives and their use in the treatment of neurological disorders US Patent  US10035794 Publication Date 7/31/2018 
Target
Name:
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Synonyms:
IDH1(R132H) | Isocitrate dehydrogenase (IDH1)(R132H) | Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) | IDH1 R132H | Isocitrate dehydrogenase 1 mutant (R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (R132H) | IDHC_HUMAN | IDH1 | PICD
Type:
Protein
Mol. Mass.:
46641.74
Organism:
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:
BDBM116257
Synonyms:
US8637508, 34 | US10035794, Example 34 | US10683287, Example 34
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F
Structure:
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