Reaction Details Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM50387315
Substrate
n/a
Meas. Tech.
ChEMBL_828094 (CHEMBL2049833)
IC50
4800±n/a nM
Citation
 Fang, G; Xue, M; Su, M; Hu, D; Li, Y; Xiong, B; Ma, L; Meng, T; Chen, Y; Li, J; Li, J; Shen, J CCLab--a multi-objective genetic algorithm based combinatorial library design software and an application for histone deacetylase inhibitor design. Bioorg Med Chem Lett 22:4540-5 (2012) [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:
BDBM50387315
Synonyms:
CHEMBL2046620
Type:
Small organic molecule
Emp. Form.:
C23H23N5O3S
Mol. Mass.:
449.525
SMILES:
CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)\C=C\c2ccccc2)nc1
Structure:
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