Reaction Details Report a problem with these data
Target
Histone deacetylase 4
Ligand
BDBM345251
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
950±n/a nM
Citation
 Dominguez, C; Muñoz-Sanjuán, I; Maillard, M; Raphy, G; Haughan, AF; Luckhurst, CA; Jarvis, RE; Bürli, RW; Breccia, P; Wishart, G; Hughes, SJ; Allen, DR; Penrose, SD Histone deacetylase inhibitors and compositions and methods of use thereof US Patent  US9783488 Publication Date 10/10/2017 
Target
Name:
Histone deacetylase 4
Synonyms:
Cereblon/Histone deacetylase 4 | HD4 | HDAC4 | HDAC4_HUMAN | Histone acetylase 4(HDAC4) | Human HDAC4 | KIAA0288
Type:
Enzyme
Mol. Mass.:
119049.39
Organism:
Homo sapiens (Human)
Description:
P56524
Residue:
1084
Sequence:
MSSQSHPDGLSGRDQPVELLNPARVNHMPSTVDVATALPLQVAPSAVPMDLRLDHQFSLPVAEPALREQQLQQELLALKQKQQIQRQILIAEFQRQHEQLSRQHEAQLHEHIKQQQEMLAMKHQQELLEHQRKLERHRQEQELEKQHREQKLQQLKNKEKGKESAVASTEVKMKLQEFVLNKKKALAHRNLNHCISSDPRYWYGKTQHSSLDQSSPPQSGVSTSYNHPVLGMYDAKDDFPLRKTASEPNLKLRSRLKQKVAERRSSPLLRRKDGPVVTALKKRPLDVTDSACSSAPGSGPSSPNNSSGSVSAENGIAPAVPSIPAETSLAHRLVAREGSAAPLPLYTSPSLPNITLGLPATGPSAGTAGQQDAERLTLPALQQRLSLFPGTHLTPYLSTSPLERDGGAAHSPLLQHMVLLEQPPAQAPLVTGLGALPLHAQSLVGADRVSPSIHKLRQHRPLGRTQSAPLPQNAQALQHLVIQQQHQQFLEKHKQQFQQQQLQMNKIIPKPSEPARQPESHPEETEEELREHQALLDEPYLDRLPGQKEAHAQAGVQVKQEPIESDEEEAEPPREVEPGQRQPSEQELLFRQQALLLEQQRIHQLRNYQASMEAAGIPVSFGGHRPLSRAQSSPASATFPVSVQEPPTKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQRTTSTAGRSLIEAQTCENEEAETVTAMASLSVGVKPAEKRPDEEPMEEEPPL
  
Inhibitor
Name:
BDBM345251
Synonyms:
(1r,4r)-1-(3-Fluoro-2- methylphenyl)-N-hydroxy- 4-(1-methyl-1H-indazol-6- yl)cyclohexanecarboxamide | US9783488, Example 104
Type:
Small organic molecule
Emp. Form.:
C22H24FN3O2
Mol. Mass.:
381.4433
SMILES:
Cc1c(F)cccc1[C@@]1(CC[C@@H](CC1)c1ccc2cnn(C)c2c1)C(=O)NO |r,wD:8.8,11.15,(.39,-3.13,;1.91,-3.4,;2.43,-4.85,;1.44,-6.03,;3.95,-5.12,;4.94,-3.94,;4.41,-2.49,;2.9,-2.22,;2.37,-.78,;1.04,-1.55,;-.3,-.78,;-.3,.76,;1.04,1.53,;2.37,.76,;-1.63,1.53,;-1.63,3.07,;-2.96,3.84,;-4.3,3.07,;-5.76,3.55,;-6.67,2.3,;-5.76,1.06,;-6.24,-.41,;-4.3,1.53,;-2.96,.76,;3.89,-.51,;4.88,-1.69,;4.41,.94,;3.42,2.12,)|
Structure:
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