Reaction Details Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM50199123
Substrate
n/a
Meas. Tech.
ChEMBL_1621341 (CHEMBL3863624)
IC50
>100000±n/a nM
Citation
 Jadhavar, PS; Ramachandran, SA; Riquelme, E; Gupta, A; Quinn, KP; Shivakumar, D; Ray, S; Zende, D; Nayak, AK; Miglani, SK; Sathe, BD; Raja, M; Farias, O; Alfaro, I; Belmar, S; Guerrero, J; Bernales, S; Chakravarty, S; Hung, DT; Lindquist, JN; Rai, R Targeting prostate cancer with compounds possessing dual activity as androgen receptor antagonists and HDAC6 inhibitors. Bioorg Med Chem Lett 26:5222-5228 (2016) [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:
BDBM50199123
Synonyms:
CHEMBL3903756
Type:
Small organic molecule
Emp. Form.:
C26H28F4N6O4S2
Mol. Mass.:
628.662
SMILES:
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCNS(N)(=O)=O)c(F)c1
Structure:
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