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Target
Histone deacetylase 3
Ligand
BDBM50248476
Substrate
n/a
Meas. Tech.
ChEMBL_543448 (CHEMBL1015996)
Ki
13±n/a nM
Citation
 Wang, H; Yu, N; Song, H; Chen, D; Zou, Y; Deng, W; Lye, PL; Chang, J; Ng, M; Sun, ET; Sangthongpitag, K; Wang, X; Wu, X; Khng, HH; Fang, L; Goh, SK; Ong, WC; Bonday, Z; Stünkel, W; Poulsen, A; Entzeroth, M N-Hydroxy-1,2-disubstituted-1H-benzimidazol-5-yl acrylamides as novel histone deacetylase inhibitors: design, synthesis, SAR studies, and in vivo antitumor activity. Bioorg Med Chem Lett 19:1403-8 (2009) [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:
BDBM50248476
Synonyms:
CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrrolidin-1-yl)ethyl)-1H-benzo[d]imidazol-5-yl)acrylamide | N-hydroxy-3-[2-phenethyl-1-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-5-yl]acrylamide | SB-639 | US10201527, Compound 72 | US10736881, Compound 72 | US8551988, 72
Type:
Small organic molecule
Emp. Form.:
C24H28N4O2
Mol. Mass.:
404.5047
SMILES:
ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Structure:
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