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Target
Histone deacetylase 9
Ligand
BDBM272077
Substrate
n/a
Meas. Tech.
Analysis of Inhibition of HDAC9 with the Compounds
IC50
27.0±n/a nM
Citation
 Dominguez, C; Muñoz-Sanjuán, I; Bürli, RW; Luckhurst, CA; Allen, DR; Raphy, G; Breccia, P; Haughan, AF; Wishart, G; Hughes, SJ; Jarvis, RE; Vater, HD; Penrose, SD; Wall, M; Stott, AJ; Saville-Stones, EA Histone deacetylase inhibitors and compositions and methods of use thereof US Patent  US10457675 Publication Date 10/29/2019 
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:
BDBM272077
Synonyms:
(S)-1-(2,6-Dimethylphenyl)-5-(3-fluoro-2- methylphenyl)-N-hydroxy-1,4,5,6- tetrahydrocyclopenta[c]pyrazole-5-carboxamide | US10065948, 13 | US10457675, Example 13
Type:
Small organic molecule
Emp. Form.:
C22H22FN3O2
Mol. Mass.:
379.4274
SMILES:
Cc1cccc(C)c1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r,wD:13.22,(-4.97,2.72,;-3.63,3.49,;-3.63,5.03,;-2.3,5.8,;-.96,5.03,;-.96,3.49,;.37,2.72,;-2.3,2.72,;-2.3,1.18,;-3.54,.28,;-3.07,-1.18,;-1.53,-1.18,;-.28,-2.09,;.96,-1.18,;.49,.28,;-1.05,.28,;2.3,-.41,;2.3,1.13,;3.63,-1.18,;4.97,-.41,;.96,-2.72,;2.3,-3.49,;2.3,-5.03,;.96,-5.8,;-.37,-5.03,;-1.7,-5.8,;-.37,-3.49,;-1.7,-2.72,)|
Structure:
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