Reaction Details Report a problem with these data
Target
Histone deacetylase 5
Ligand
BDBM50105327
Substrate
n/a
Meas. Tech.
ChEMBL_1779297 (CHEMBL4236289)
Ki
4.3±n/a nM
Citation
 Fournier, JF; Bhurruth-Alcor, Y; Musicki, B; Aubert, J; Aurelly, M; Bouix-Peter, C; Bouquet, K; Chantalat, L; Delorme, M; Drean, B; Duvert, G; Fleury-Bregeot, N; Gauthier, B; Grisendi, K; Harris, CS; Hennequin, LF; Isabet, T; Joly, F; Lafitte, G; Millois, C; Morgentin, R; Pascau, J; Piwnica, D; Rival, Y; Soulet, C; Thoreau, É; Tomas, L Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma. Bioorg Med Chem Lett 28:2985-2992 (2018) [PubMed]  Article 
Target
Name:
Histone deacetylase 5
Synonyms:
Antigen NY-CO-9 | HD5 | HDAC5 | HDAC5_HUMAN | Histone acetylase 5 (HDAC5) | Histone deacetylase 5 (HDAC5) | Human HDAC5 | KIAA0600
Type:
Enzyme
Mol. Mass.:
121968.61
Organism:
Homo sapiens (Human)
Description:
Q9UQL6
Residue:
1122
Sequence:
MNSPNESDGMSGREPSLEILPRTSLHSIPVTVEVKPVLPRAMPSSMGGGGGGSPSPVELRGALVGSVDPTLREQQLQQELLALKQQQQLQKQLLFAEFQKQHDHLTRQHEVQLQKHLKQQQEMLAAKQQQEMLAAKRQQELEQQRQREQQRQEELEKQRLEQQLLILRNKEKSKESAIASTEVKLRLQEFLLSKSKEPTPGGLNHSLPQHPKCWGAHHASLDQSSPPQSGPPGTPPSYKLPLPGPYDSRDDFPLRKTASEPNLKVRSRLKQKVAERRSSPLLRRKDGTVISTFKKRAVEITGAGPGASSVCNSAPGSGPSSPNSSHSTIAENGFTGSVPNIPTEMLPQHRALPLDSSPNQFSLYTSPSLPNISLGLQATVTVTNSHLTASPKLSTQQEAERQALQSLRQGGTLTGKFMSTSSIPGCLLGVALEGDGSPHGHASLLQHVLLLEQARQQSTLIAVPLHGQSPLVTGERVATSMRTVGKLPRHRPLSRTQSSPLPQSPQALQQLVMQQQHQQFLEKQKQQQLQLGKILTKTGELPRQPTTHPEETEEELTEQQEVLLGEGALTMPREGSTESESTQEDLEEEDEEDDGEEEEDCIQVKDEEGESGAEEGPDLEEPGAGYKKLFSDAQPLQPLQVYQAPLSLATVPHQALGRTQSSPAAPGGMKSPPDQPVKHLFTTGVVYDTFMLKHQCMCGNTHVHPEHAGRIQSIWSRLQETGLLSKCERIRGRKATLDEIQTVHSEYHTLLYGTSPLNRQKLDSKKLLGPISQKMYAVLPCGGIGVDSDTVWNEMHSSSAVRMAVGCLLELAFKVAAGELKNGFAIIRPPGHHAEESTAMGFCFFNSVAITAKLLQQKLNVGKVLIVDWDIHHGNGTQQAFYNDPSVLYISLHRYDNGNFFPGSGAPEEVGGGPGVGYNVNVAWTGGVDPPIGDVEYLTAFRTVVMPIAHEFSPDVVLVSAGFDAVEGHLSPLGGYSVTARCFGHLTRQLMTLAGGRVVLALEGGHDLTAICDASEACVSALLSVELQPLDEAVLQQKPNINAVATLEKVIEIQSKHWSCVQKFAAGLGRSLREAQAGETEEAETVSAMALLSVGAEQAQAAAAREHSPRPAEEPMEQEPAL
  
Inhibitor
Name:
BDBM50105327
Synonyms:
JNJ-26481585 | Quisinostat
Type:
Small organic molecule
Emp. Form.:
C21H26N6O2
Mol. Mass.:
394.4701
SMILES:
Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: