Reaction Details Report a problem with these data
Target
Histone deacetylase 9
Ligand
BDBM50248522
Substrate
n/a
Meas. Tech.
ChEMBL_769065 (CHEMBL1832528)
Ki
24±n/a nM
Citation
Wang, H; Yu, N; Chen, D; Lee, KC; Lye, PL; Chang, JW; Deng, W; Ng, MC; Lu, T; Khoo, ML; Poulsen, A; Sangthongpitag, K; Wu, X; Hu, C; Goh, KC; Wang, X; Fang, L; Goh, KL; Khng, HH; Goh, SK; Yeo, P; Liu, X; Bonday, Z; Wood, JM; Dymock, BW; Kantharaj, E; Sun, ET Discovery of (2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide (SB939), an orally active histone deacetylase inhibitor with a superior preclinical profile. J Med Chem 54:4694-720 (2011) [PubMed] Article
More Info.:
Target
Name:
Histone deacetylase 9
Synonyms:
HD9 | HDAC7 | HDAC7B | HDAC9 | HDAC9_HUMAN | HDRP | Histone acetylase 9 (HDAC9) | Histone deacetylase 7B | Histone deacetylase 9 (HDAC9) | Histone deacetylase-related protein | Human HDAC9 | KIAA0744 | MITR
Type:
Enzyme
Mol. Mass.:
111304.31
Organism:
Homo sapiens (Human)
Description:
Q9UKV0
Residue:
1011
Sequence:
MHSMISSVDVKSEVPVGLEPISPLDLRTDLRMMMPVVDPVVREKQLQQELLLIQQQQQIQKQLLIAEFQKQHENLTRQHQAQLQEHIKELLAIKQQQELLEKEQKLEQQRQEQEVERHRREQQLPPLRGKDRGRERAVASTEVKQKLQEFLLSKSATKDTPTNGKNHSVSRHPKLWYTAAHHTSLDQSSPPLSGTSPSYKYTLPGAQDAKDDFPLRKTASEPNLKVRSRLKQKVAERRSSPLLRRKDGNVVTSFKKRMFEVTESSVSSSSPGSGPSSPNNGPTGSVTENETSVLPPTPHAEQMVSQQRILIHEDSMNLLSLYTSPSLPNITLGLPAVPSQLNASNSLKEKQKCETQTLRQGVPLPGQYGGSIPASSSHPHVTLEGKPPNSSHQALLQHLLLKEQMRQQKLLVAGGVPLHPQSPLATKERISPGIRGTHKLPRHRPLNRTQSAPLPQSTLAQLVIQQQHQQFLEKQKQYQQQIHMNKLLSKSIEQLKQPGSHLEEAEEELQGDQAMQEDRAPSSGNSTRSDSSACVDDTLGQVGAVKVKEEPVDSDEDAQIQEMESGEQAAFMQQPFLEPTHTRALSVRQAPLAAVGMDGLEKHRLVSRTHSSPAASVLPHPAMDRPLQPGSATGIAYDPLMLKHQCVCGNSTTHPEHAGRIQSIWSRLQETGLLNKCERIQGRKASLEEIQLVHSEHHSLLYGTNPLDGQKLDPRILLGDDSQKFFSSLPCGGLGVDSDTIWNELHSSGAARMAVGCVIELASKVASGELKNGFAVVRPPGHHAEESTAMGFCFFNSVAITAKYLRDQLNISKILIVDLDVHHGNGTQQAFYADPSILYISLHRYDEGNFFPGSGAPNEVGTGLGEGYNINIAWTGGLDPPMGDVEYLEAFRTIVKPVAKEFDPDMVLVSAGFDALEGHTPPLGGYKVTAKCFGHLTKQLMTLADGRVVLALEGGHDLTAICDASEACVNALLGNELEPLAEDILHQSPNMNAVISLQKIIEIQSMSLKFS
Inhibitor
Name:
BDBM50248522
Synonyms:
CHEMBL489332 | N-hydroxy-3-(2-phenethyl-1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)acrylamide | US10201527, Compound 67 | US10736881, Compound 67 | US8551988, 67
Type:
Small organic molecule
Emp. Form.:
C25H30N4O2
Mol. Mass.:
418.5313
SMILES:
ONC(=O)\C=C\c1ccc2n(CCN3CCCCC3)c(CCc3ccccc3)nc2c1