Reaction Details Report a problem with these data
Target
Histone deacetylase
Ligand
BDBM50166165
Substrate
n/a
Meas. Tech.
ChEMBL_532345 (CHEMBL973268)
IC50
31800±n/a nM
Citation
 Ragno, R; Simeoni, S; Rotili, D; Caroli, A; Botta, G; Brosch, G; Massa, S; Mai, A Class II-selective histone deacetylase inhibitors. Part 2: alignment-independent GRIND 3-D QSAR, homology and docking studies. Eur J Med Chem 43:621-32 (2008) [PubMed]  Article 
Target
Name:
Histone deacetylase
Synonyms:
Histone deacetylase HD1B
Type:
PROTEIN
Mol. Mass.:
50930.01
Organism:
Zea mays
Description:
ChEMBL_422128
Residue:
458
Sequence:
MAASGEGVSLPSPAGGEDAHRRRVSYFYEPSIGDYYYGQGHPMKPHRIRMAHSLVVHYGLHRLLELSRPYPASEADIRRFHSDDYVAFLASATGNPGVLDPRAIKRFNVGEDCPVFDGLFPFCQASAGGSIGAAVKLNRGDADITVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKFHRRVLYVDIDVHHGDGVEEAFFTTNRVMTVSFHKYGDFFPGTGHITDVGAAEGKHYALNVPLSDGIDDTTFRGLFQCIIKKVMEVYQPDVVVLQCGADSLAGDRLGCFNLSVKGHADCLRFLRSYNVPMMVLGGGGYTIRNVARCWCYETAVAVGVEPDNKLPYNDYYEYFGPDYTLHIQPKSVENLNTTKDLENIKNMILENLSKIEHVPSTQFHDRPSDPEAPEEKEEDMDKRPPQRSRLWSGGAYDSDTEDPDSLKSEGKDVTANFQMKDEPKDDL
  
Inhibitor
Name:
BDBM50166165
Synonyms:
(E)-3-[4-(3-Biphenyl-4-yl-3-oxo-propenyl)-1-methyl-1H-pyrrol-2-yl]-N-hydroxy-acrylamide | 3-[4-(3-Biphenyl-4-yl-3-oxo-propenyl)-1-methyl-1H-pyrrol-2-yl]-N-hydroxy-acrylamide | CHEMBL189381
Type:
Small organic molecule
Emp. Form.:
C23H20N2O3
Mol. Mass.:
372.4165
SMILES:
Cn1cc(\C=C\C(=O)c2ccc(cc2)-c2ccccc2)cc1\C=C\C(=O)NO
Structure:
Search PDB for entries with ligand similarity: