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BDBM50439673 CHEMBL2417782

SMILES: CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCCC(=O)NO)n1

InChI Key: InChIKey=OMNSMDKNUMOYAR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50439673   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50439673
PNG
(CHEMBL2417782)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCCC(=O)NO)n1
Show InChI InChI=1S/C22H30N4O5S/c1-22(2,3)31-21(29)23-16-10-8-9-15(13-16)17-14-32-20(24-17)25-18(27)11-6-4-5-7-12-19(28)26-30/h8-10,13-14,30H,4-7,11-12H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-6-tagged full length HDAC3 (unknown origin) expressed in sf9 cells and co-expressed in SMRT gene (395 to 489) using carboxyfluoresc...


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
BindingDB Entry DOI: 10.7270/Q29G5P7J
More data for this
Ligand-Target Pair