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Target
Histone deacetylase 3
Ligand
BDBM50602209
Substrate
n/a
Meas. Tech.
ChEMBL_2239668 (CHEMBL5153564)
IC50
81±n/a nM
Citation
 Sun, P; Wang, J; Khan, KS; Yang, W; Ng, BW; Ilment, N; Zessin, M; Bülbül, EF; Robaa, D; Erdmann, F; Schmidt, M; Romier, C; Schutkowski, M; Cheng, AS; Sippl, W Development of Alkylated Hydrazides as Highly Potent and Selective Class I Histone Deacetylase Inhibitors with T cell Modulatory Properties. J Med Chem 65:16313-16337 (2022) [PubMed] 
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:
BDBM50602209
Synonyms:
CHEMBL5173372
Type:
Small organic molecule
Emp. Form.:
C19H21N5O
Mol. Mass.:
335.4029
SMILES:
CCCNNC(=O)c1cnc(NCc2cccc3ccccc23)nc1
Structure:
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