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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transcription factor Jun' and Ligand = 'BDBM50279699'   
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
Transcription factor Jun


(Homo sapiens (Human))
BDBM50279699
PNG
(2-(4-Methyl-2-phenylamino-thiazol-5-yl)-3-o-tolyl-...)
Show SMILES Cc1nc(Nc2ccccc2)sc1-c1nc2ccccc2c(=O)n1-c1ccccc1C |(-4.16,-12.94,;-3.02,-11.9,;-1.51,-12.22,;-.75,-10.89,;.79,-10.88,;1.56,-12.21,;.79,-13.55,;1.57,-14.87,;3.11,-14.87,;3.87,-13.52,;3.09,-12.2,;-1.78,-9.74,;-3.18,-10.37,;-4.51,-9.6,;-5.86,-10.38,;-7.2,-9.61,;-8.54,-10.38,;-9.87,-9.61,;-9.87,-8.06,;-8.54,-7.29,;-7.21,-8.06,;-5.87,-7.27,;-5.88,-5.73,;-4.52,-8.05,;-3.19,-7.27,;-1.86,-8.04,;-.52,-7.27,;-.53,-5.73,;-1.87,-4.96,;-3.2,-5.74,;-4.54,-4.98,)|
Show InChI InChI=1S/C25H20N4OS/c1-16-10-6-9-15-21(16)29-23(28-20-14-8-7-13-19(20)24(29)30)22-17(2)26-25(31-22)27-18-11-4-3-5-12-18/h3-15H,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



B.V. Patel Pharmaceutical Education and Research Development Centre

Curated by ChEMBL


Assay Description
Inhibition of AP1 (unknown origin) expressed in HEK293 cells assessed as inhibition of TNFalpha-induced transcriptional activation treated 24 hrs bef...


Eur J Med Chem 44: 2184-9 (2009)


Article DOI: 10.1016/j.ejmech.2008.10.031
BindingDB Entry DOI: 10.7270/Q25X28SV
More data for this
Ligand-Target Pair
Transcription factor Jun


(Homo sapiens (Human))
BDBM50279699
PNG
(2-(4-Methyl-2-phenylamino-thiazol-5-yl)-3-o-tolyl-...)
Show SMILES Cc1nc(Nc2ccccc2)sc1-c1nc2ccccc2c(=O)n1-c1ccccc1C |(-4.16,-12.94,;-3.02,-11.9,;-1.51,-12.22,;-.75,-10.89,;.79,-10.88,;1.56,-12.21,;.79,-13.55,;1.57,-14.87,;3.11,-14.87,;3.87,-13.52,;3.09,-12.2,;-1.78,-9.74,;-3.18,-10.37,;-4.51,-9.6,;-5.86,-10.38,;-7.2,-9.61,;-8.54,-10.38,;-9.87,-9.61,;-9.87,-8.06,;-8.54,-7.29,;-7.21,-8.06,;-5.87,-7.27,;-5.88,-5.73,;-4.52,-8.05,;-3.19,-7.27,;-1.86,-8.04,;-.52,-7.27,;-.53,-5.73,;-1.87,-4.96,;-3.2,-5.74,;-4.54,-4.98,)|
Show InChI InChI=1S/C25H20N4OS/c1-16-10-6-9-15-21(16)29-23(28-20-14-8-7-13-19(20)24(29)30)22-17(2)26-25(31-22)27-18-11-4-3-5-12-18/h3-15H,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in HEK293 cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair