Reaction Details Report a problem with these data
Target
Histone deacetylase 3
Ligand
BDBM24624
Substrate
BDBM19411
Meas. Tech.
HDAC Enzyme Inhibition Assay
pH
8±n/a
Temperature
310.15±n/a K
IC50
1660±690 nM
Citation
Zhou, N; Moradei, O; Raeppel, S; Leit, S; Frechette, S; Gaudette, F; Paquin, I; Bernstein, N; Bouchain, G; Vaisburg, A; Jin, Z; Gillespie, J; Wang, J; Fournel, M; Yan, PT; Trachy-Bourget, MC; Kalita, A; Lu, A; Rahil, J; MacLeod, AR; Li, Z; Besterman, JM; Delorme, D Discovery of N-(2-aminophenyl)-4-[(4-pyridin-3-ylpyrimidin-2-ylamino)methyl]benzamide (MGCD0103), an orally active histone deacetylase inhibitor. J Med Chem 51:4072-5 (2008) [PubMed] Article
More Info.:
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:
BDBM24624
Synonyms:
CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide | US10227295, Compound MGCD0103 | US11377423, MGCD-0103 | US9409858, MGCD0103 | US9751832, MGCD0103 | US9956192, Compound MGCD0103
Type:
Small organic molecule
Emp. Form.:
C23H20N6O
Mol. Mass.:
396.4445
SMILES:
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1