Reaction Details Report a problem with these data
Target
Histone deacetylase 5
Ligand
BDBM50248476
Substrate
n/a
Meas. Tech.
ChEMBL_543450 (CHEMBL1015998)
Ki
17±n/a nM
Citation
 Wang, H; Yu, N; Song, H; Chen, D; Zou, Y; Deng, W; Lye, PL; Chang, J; Ng, M; Sun, ET; Sangthongpitag, K; Wang, X; Wu, X; Khng, HH; Fang, L; Goh, SK; Ong, WC; Bonday, Z; Stünkel, W; Poulsen, A; Entzeroth, M N-Hydroxy-1,2-disubstituted-1H-benzimidazol-5-yl acrylamides as novel histone deacetylase inhibitors: design, synthesis, SAR studies, and in vivo antitumor activity. Bioorg Med Chem Lett 19:1403-8 (2009) [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:
BDBM50248476
Synonyms:
CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrrolidin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)acrylamide | N-hydroxy-3-[2-phenethyl-1-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-5-yl]acrylamide | SB-639 | US10201527, Compound 72 | US10736881, Compound 72 | US8551988, 72
Type:
Small organic molecule
Emp. Form.:
C24H28N4O2
Mol. Mass.:
404.5047
SMILES:
ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Structure:
Search PDB for entries with ligand similarity: