Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50255262
Substrate
n/a
Meas. Tech.
ChEMBL_515326 (CHEMBL1035661)
IC50
80±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 1
Synonyms:
Cereblon/Histone deacetylase 1 | HD1 | HDAC1 | HDAC1_HUMAN | Histone deacetylase 1 (HDAC1) | Human HDAC1 | RPD3L1
Type:
Enzyme
Mol. Mass.:
55090.27
Organism:
Homo sapiens (Human)
Description:
Q13547
Residue:
482
Sequence:
MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKANAEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVASAVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAIFKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGGGGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLEKIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEDDPDKRISICSSDKRIACEEEFSDSEEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVKLA
  
Inhibitor
Name:
BDBM50255262
Synonyms:
CHEMBL479279 | N-(2-aminophenyl)-4-((4-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C28H30N8O
Mol. Mass.:
494.5908
SMILES:
CN1CCN(CC1)c1ccc(cn1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Structure:
Search PDB for entries with ligand similarity: