Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50032238   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Transcription factor Jun (Homo sapiens (Human))	BDBM50279431 (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/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 Jun (Homo sapiens (Human))	BDBM50279429 (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/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 Jun (Homo sapiens (Human))	BDBM50326123 (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/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 Jun (Homo sapiens (Human))	BDBM50326119 (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/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 Jun (Homo sapiens (Human))	BDBM50326121 (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 Jun (Homo sapiens (Human))	BDBM50326120 (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/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 Jun (Homo sapiens (Human))	BDBM50326122 (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/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