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Target
Histone deacetylase 1
Ligand
BDBM50350834
Substrate
n/a
Meas. Tech.
ChEMBL_763305 (CHEMBL1820399)
IC50
17±n/a nM
Citation
 Shultz, MD; Cao, X; Chen, CH; Cho, YS; Davis, NR; Eckman, J; Fan, J; Fekete, A; Firestone, B; Flynn, J; Green, J; Growney, JD; Holmqvist, M; Hsu, M; Jansson, D; Jiang, L; Kwon, P; Liu, G; Lombardo, F; Lu, Q; Majumdar, D; Meta, C; Perez, L; Pu, M; Ramsey, T; Remiszewski, S; Skolnik, S; Traebert, M; Urban, L; Uttamsingh, V; Wang, P; Whitebread, S; Whitehead, L; Yan-Neale, Y; Yao, YM; Zhou, L; Atadja, P Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitors. J Med Chem 54:4752-72 (2011) [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:
BDBM50350834
Synonyms:
CHEMBL1819259
Type:
Small organic molecule
Emp. Form.:
C25H26N4O3
Mol. Mass.:
430.4989
SMILES:
Cc1noc(C)c1-c1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 |(-6.03,-13.03,;-4.7,-12.25,;-3.29,-12.87,;-2.26,-11.72,;-3.04,-10.39,;-2.42,-8.98,;-4.56,-10.72,;-5.71,-9.69,;-7.22,-10.01,;-8,-8.67,;-9.51,-8.34,;-9.98,-6.87,;-8.94,-5.73,;-7.44,-6.05,;-6.96,-7.52,;-5.55,-8.15,;-4.21,-7.37,;-2.88,-8.14,;-1.54,-7.37,;-.21,-8.14,;1.12,-7.37,;1.12,-5.82,;2.45,-5.05,;3.79,-5.82,;5.12,-5.04,;6.46,-5.81,;7.79,-5.03,;7.78,-3.49,;9.12,-5.8,;10.45,-5.02,;3.79,-7.37,;2.46,-8.14,)|
Structure:
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