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Target
Histone deacetylase 3
Ligand
BDBM50442722
Substrate
n/a
Meas. Tech.
ChEMBL_989767 (CHEMBL2446005)
IC50
899±n/a nM
Citation
 Zhang, X; Bao, B; Yu, X; Tong, L; Luo, Y; Huang, Q; Su, M; Sheng, L; Li, J; Zhu, H; Yang, B; Zhang, X; Chen, Y; Lu, W The discovery and optimization of novel dual inhibitors of topoisomerase II and histone deacetylase. Bioorg Med Chem 21:6981-95 (2013) [PubMed]  Article 
Target
Name:
Histone deacetylase 3
Synonyms:
HD3 | HDAC3 | HDAC3_HUMAN | Histone deacetylase 3 (HDAC3) | Human HDAC3 | RPD3-2 | SMAP45
Type:
Enzyme
Mol. Mass.:
48829.55
Organism:
Homo sapiens (Human)
Description:
O15379
Residue:
428
Sequence:
MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVINQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTVRNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQTIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDNDKESDVEI
  
Inhibitor
Name:
BDBM50442722
Synonyms:
CHEMBL2442796
Type:
Small organic molecule
Emp. Form.:
C32H34N2O10
Mol. Mass.:
606.6198
SMILES:
COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccccc2OCCCCC(=O)NO)c2cc3OCOc3cc12 |r|
Structure:
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