Reaction Details Report a problem with these data
Target
Histone deacetylase 8
Ligand
BDBM50255422
Substrate
n/a
Meas. Tech.
ChEMBL_515338 (CHEMBL1036515)
IC50
>10000±n/a nM
Citation
 Raeppel, S; Zhou, N; Gaudette, F; Leit, S; Paquin, I; Larouche, G; Moradei, O; Fréchette, S; Isakovic, L; Delorme, D; Fournel, M; Kalita, A; Lu, A; Trachy-Bourget, MC; Yan, PT; Liu, J; Rahil, J; Wang, J; Besterman, JM; Murakami, K; Li, Z; Vaisburg, A SAR and biological evaluation of analogues of a small molecule histone deacetylase inhibitor N-(2-aminophenyl)-4-((4-(pyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide (MGCD0103). Bioorg Med Chem Lett 19:644-9 (2009) [PubMed]  Article 
Target
Name:
Histone deacetylase 8
Synonyms:
HD8 | HDAC8 | HDAC8_HUMAN | HDACL1 | Histone deacetylase 8 (HDAC-8) | Human HDAC8
Type:
Enzyme
Mol. Mass.:
41749.60
Organism:
Homo sapiens (Human)
Description:
Q9BY41
Residue:
377
Sequence:
MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHVV
  
Inhibitor
Name:
BDBM50255422
Synonyms:
4-((4-(1H-pyrazol-5-yl)pyrimidin-2-ylamino)methyl)-N-(2-aminophenyl)benzamide | CHEMBL481805
Type:
Small organic molecule
Emp. Form.:
C21H19N7O
Mol. Mass.:
385.4219
SMILES:
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cc[nH]n2)cc1
Structure:
Search PDB for entries with ligand similarity: