Reaction Details Report a problem with these data
Target
Histone deacetylase 9
Ligand
BDBM272116
Substrate
n/a
Meas. Tech.
Analysis of Inhibition of HDAC9 with the Compounds
IC50
160±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:
BDBM272116
Synonyms:
(S)-2-Cyclopropyl-6-(3-fluoro-2-methylphenyl)-N- hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6- carboxamide | US10065948, 52 | US10457675, Example 52
Type:
Small organic molecule
Emp. Form.:
C18H18FN3O2
Mol. Mass.:
327.3528
SMILES:
Cc1c(F)cccc1[C@@]1(Cc2cnc(nc2C1)C1CC1)C(=O)NO |r|
Structure:
Search PDB for entries with ligand similarity: