Ki Summary

Reaction Details

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Target

Isocitrate dehydrogenase [NADP] cytoplasmic

Ligand

BDBM416155

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2165763 (CHEMBL5050624)

IC50

16±n/a nM

Citation

Huang, C; Fischer, C; Machacek, MR; Bogen, S; Biftu, T; Huang, X; Reutershan, MH; Otte, R; Hong, Q; Wu, Z; Yu, Y; Park, M; Chen, L; Biju, P; Knemeyer, I; Lu, P; Kochansky, CJ; Hicks, MB; Liu, Y; Helmy, R; Fradera, X; Donofrio, A; Close, J; Maddess, ML; White, C; Sloman, DL; Sciammetta, N; Lu, J; Gibeau, C; Simov, V; Zhang, H; Fuller, P; Witter, D Diminishing GSH-Adduct Formation of Tricyclic Diazepine-based Mutant IDH1 Inhibitors. ACS Med Chem Lett13:734-741 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Isocitrate dehydrogenase [NADP] cytoplasmic

Name:

Isocitrate dehydrogenase [NADP] cytoplasmic

Synonyms:

Type:

Protein

Mol. Mass.:

46661.29

Organism:

Homo sapiens (Human)

Description:

O75874

Residue:

414

Sequence:

MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL

BDBM416155

n/a

Name

BDBM416155

Synonyms:

6-{[trans-4-(1- methylethoxy)cyclohexyl]car- bonyl}-8-[(1S,4S)-2-oxa-5- azabicyclo[2.2.1]hept-5-yl]- 6,11-dihydro-5H-pyrido[2,3- b][1,5]benzodiazepine | US10442819, Example 300

Type

Small organic molecule

Emp. Form.

C27H34N4O3

Mol. Mass.

462.5839

SMILES

CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1C[C@@H]2C[C@H]1CO2 |r,wU:7.10,29.33,wD:4.3,31.34,THB:24:27:32.33:30,(6.2,5.88,;5.43,4.54,;6.2,3.21,;3.89,4.54,;3.12,3.21,;1.58,3.21,;.81,1.88,;1.58,.54,;3.12,.54,;3.89,1.88,;.81,-.79,;-.73,-.79,;1.58,-2.12,;3.12,-2.12,;4.08,-3.33,;5.55,-2.87,;6.68,-3.92,;6.34,-5.42,;4.87,-5.88,;3.74,-4.83,;2.35,-5.5,;.97,-4.83,;-.16,-5.88,;-1.64,-5.42,;-1.98,-3.92,;-.85,-2.87,;.62,-3.33,;-3.47,-3.52,;-3.86,-2.04,;-5.2,-2.8,;-6.68,-2.41,;-4.8,-4.29,;-5.57,-5.63,;-5.96,-4.14,)|

Structure