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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM375742'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 3


(Homo sapiens (Human))
BDBM375742
PNG
(US10301323, Compound D14 | US9908899, Compound D14)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOCc2ccccc2)c1
Show InChI InChI=1S/C21H22N4O2/c22-19-8-4-5-9-20(19)24-21(26)11-10-18-14-23-25(15-18)12-13-27-16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16,22H2,(H,24,26)/b11-10+
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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...


J Med Chem 49: 1202-6 (2006)


BindingDB Entry DOI: 10.7270/Q2JD504D
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM375742
PNG
(US10301323, Compound D14 | US9908899, Compound D14)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1cnn(CCOCc2ccccc2)c1
Show InChI InChI=1S/C21H22N4O2/c22-19-8-4-5-9-20(19)24-21(26)11-10-18-14-23-25(15-18)12-13-27-16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16,22H2,(H,24,26)/b11-10+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



GSK



Assay Description
The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...


J Med Chem 50: 685-95 (2007)


BindingDB Entry DOI: 10.7270/Q2736T75
More data for this
Ligand-Target Pair