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Compile Data Set for Download or QSAR

Found 4 hits from B.V. Patel Pharmaceutical Education and Research Development Centre   
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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50279429
PNG
(3-(4-Chloro-phenyl)-2-(4-methyl-2-methylamino-thia...)
Show SMILES CNc1nc(C)c(s1)-c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4OS/c1-11-16(26-19(21-2)22-11)17-23-15-6-4-3-5-14(15)18(25)24(17)13-9-7-12(20)8-10-13/h3-10H,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+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 AP-1


(Homo sapiens (Human))
BDBM50279431
PNG
(3-(4-Chloro-phenyl)-2-[2-(4-chloro-phenylamino)-4-...)
Show SMILES Cc1nc(Nc2ccc(Cl)cc2)sc1-c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H16Cl2N4OS/c1-14-21(32-24(27-14)28-17-10-6-15(25)7-11-17)22-29-20-5-3-2-4-19(20)23(31)30(22)18-12-8-16(26)9-13-18/h2-13H,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+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 AP-1


(Homo sapiens (Human))
BDBM50279698
PNG
(2-(4-Methyl-2-methylamino-thiazol-5-yl)-3-o-tolyl-...)
Show SMILES CNc1nc(C)c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1C
Show InChI InChI=1S/C20H18N4OS/c1-12-8-4-7-11-16(12)24-18(17-13(2)22-20(21-3)26-17)23-15-10-6-5-9-14(15)19(24)25/h4-11H,1-3H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 AP-1


(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
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

GoogleScholar
AffyNet 
Purchase

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