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Compile Data Set for Download or QSAR

Found 8 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))
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

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development Centre

Curated by ChEMBL


Assay Description
Inhibition of AP1 expressed in HEK293 cells assessed as inhibition of PMA-induced transcriptional activation treated 24 hrs before PMA challenge by l...


Eur J Med Chem 45: 3558-63 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.038
BindingDB Entry DOI: 10.7270/Q2NP24MW
More data for this
Ligand-Target Pair
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
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development Centre

Curated by ChEMBL


Assay Description
Inhibition of AP1 expressed in HEK293 cells assessed as inhibition of PMA-induced transcriptional activation treated 24 hrs before PMA challenge by l...


Eur J Med Chem 45: 3558-63 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.038
BindingDB Entry DOI: 10.7270/Q2NP24MW
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50326123
PNG
(3-(4-Chloro-phenyl)-2-[2-(4-chloro-phenylamino)-4-...)
Show SMILES Clc1ccc(Nc2nc(c(s2)-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H18Cl2N4OS/c30-19-10-14-21(15-11-19)32-29-34-25(18-6-2-1-3-7-18)26(37-29)27-33-24-9-5-4-8-23(24)28(36)35(27)22-16-12-20(31)13-17-22/h1-17H,(H,32,34)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development Centre

Curated by ChEMBL


Assay Description
Inhibition of AP1 expressed in HEK293 cells assessed as inhibition of PMA-induced transcriptional activation treated 24 hrs before PMA challenge by l...


Eur J Med Chem 45: 3558-63 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.038
BindingDB Entry DOI: 10.7270/Q2NP24MW
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50315777
PNG
(3-(4-Acetyl-phenyl)-2-(5-morpholin-4-yl-4-pyridin-...)
Show SMILES CC(=O)c1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1cc(c(s1)N1CCOCC1)-c1ccncc1
Show InChI InChI=1S/C29H24N4O3S/c1-19(34)20-6-8-22(9-7-20)33-27(31-25-5-3-2-4-23(25)28(33)35)26-18-24(21-10-12-30-13-11-21)29(37-26)32-14-16-36-17-15-32/h2-13,18H,14-17H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development Centre

Curated by ChEMBL


Assay Description
Inhibition of AP-1 expressed in HEK293 cells assessed as PMA-stimulated transcriptional activation treated 24 hrs before PMA challenge measured after...


Bioorg Med Chem 18: 2796-808 (2010)


Article DOI: 10.1016/j.bmc.2010.01.007
BindingDB Entry DOI: 10.7270/Q2S182NG
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50326119
PNG
(CHEMBL1242070 | [5-(4-Oxo-3-phenyl-3,4-dihydro-qui...)
Show SMILES CCOC(=O)Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H20N4O3S/c1-2-33-26(32)29-25-28-21(17-11-5-3-6-12-17)22(34-25)23-27-20-16-10-9-15-19(20)24(31)30(23)18-13-7-4-8-14-18/h3-16H,2H2,1H3,(H,28,29,32)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development Centre

Curated by ChEMBL


Assay Description
Inhibition of AP1 expressed in HEK293 cells assessed as inhibition of PMA-induced transcriptional activation treated 24 hrs before PMA challenge by l...


Eur J Med Chem 45: 3558-63 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.038
BindingDB Entry DOI: 10.7270/Q2NP24MW
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50326121
PNG
(CHEMBL1242520 | {5-[3-(4-Chloro-phenyl)-4-oxo-3,4-...)
Show SMILES CCOC(=O)Nc1nc(C)c(s1)-c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN4O3S/c1-3-29-21(28)25-20-23-12(2)17(30-20)18-24-16-7-5-4-6-15(16)19(27)26(18)14-10-8-13(22)9-11-14/h4-11H,3H2,1-2H3,(H,23,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development Centre

Curated by ChEMBL


Assay Description
Inhibition of AP1 expressed in HEK293 cells assessed as inhibition of PMA-induced transcriptional activation treated 24 hrs before PMA challenge by l...


Eur J Med Chem 45: 3558-63 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.038
BindingDB Entry DOI: 10.7270/Q2NP24MW
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50326120
PNG
(2-[2-(4-Chloro-phenylamino)-4-phenyl-thiazol-5-yl]...)
Show SMILES COc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(Nc2ccc(Cl)cc2)nc1-c1ccccc1
Show InChI InChI=1S/C30H21ClN4O2S/c1-37-23-17-15-22(16-18-23)35-28(33-25-10-6-5-9-24(25)29(35)36)27-26(19-7-3-2-4-8-19)34-30(38-27)32-21-13-11-20(31)12-14-21/h2-18H,1H3,(H,32,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development Centre

Curated by ChEMBL


Assay Description
Inhibition of AP1 expressed in HEK293 cells assessed as inhibition of PMA-induced transcriptional activation treated 24 hrs before PMA challenge by l...


Eur J Med Chem 45: 3558-63 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.038
BindingDB Entry DOI: 10.7270/Q2NP24MW
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50326122
PNG
(3-(4-Chloro-phenyl)-2-(2-methylamino-4-phenyl-thia...)
Show SMILES CNc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C24H17ClN4OS/c1-26-24-28-20(15-7-3-2-4-8-15)21(31-24)22-27-19-10-6-5-9-18(19)23(30)29(22)17-13-11-16(25)12-14-17/h2-14H,1H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development Centre

Curated by ChEMBL


Assay Description
Inhibition of AP1 expressed in HEK293 cells assessed as inhibition of PMA-induced transcriptional activation treated 24 hrs before PMA challenge by l...


Eur J Med Chem 45: 3558-63 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.038
BindingDB Entry DOI: 10.7270/Q2NP24MW
More data for this
Ligand-Target Pair