Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50000028   

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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50428854 (CHEMBL1236924) Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from human PPARgamma LBD expressed in HEK293 cells by filtration assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239350 (CHEMBL4100158) Show SMILES FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C22H12BrCl2F3N2O4S/c23-13-5-6-20(19(8-13)34-22(26,27)28)35(31,32)30-14-9-16(24)21(17(25)10-14)33-15-7-12-3-1-2-4-18(12)29-11-15/h1-11,30H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239351 (CHEMBL4083715) Show SMILES Clc1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc(Cl)c1Oc1cnc2ccccc2c1 Show InChI InChI=1S/C21H12BrCl3N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	134	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239352 (CHEMBL4079968) Show SMILES FC(F)(F)c1cc(Br)ccc1S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C22H12BrCl2F3N2O3S/c23-13-5-6-20(16(8-13)22(26,27)28)34(31,32)30-14-9-17(24)21(18(25)10-14)33-15-7-12-3-1-2-4-19(12)29-11-15/h1-11,30H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	94	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239353 (CHEMBL4094497) Show SMILES Fc1cc(Br)ccc1S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C21H12BrCl2FN2O3S/c22-13-5-6-20(18(25)8-13)31(28,29)27-14-9-16(23)21(17(24)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239354 (CHEMBL4073091) Show SMILES Fc1cc(ccc1Br)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C21H12BrCl2FN2O3S/c22-16-6-5-15(10-19(16)25)31(28,29)27-13-8-17(23)21(18(24)9-13)30-14-7-12-3-1-2-4-20(12)26-11-14/h1-11,27H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	169	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239355 (CHEMBL4062558) Show SMILES Clc1cc(NS(=O)(=O)c2ccc(Br)cc2)cc(Cl)c1Oc1cnc2ccccc2c1 Show InChI InChI=1S/C21H13BrCl2N2O3S/c22-14-5-7-17(8-6-14)30(27,28)26-15-10-18(23)21(19(24)11-15)29-16-9-13-3-1-2-4-20(13)25-12-16/h1-12,26H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	151	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239356 (CHEMBL4098241) Show SMILES Clc1cc(NS(=O)(=O)c2ccc3ccccc3c2)cc(Cl)c1Oc1cnc2ccccc2c1 Show InChI InChI=1S/C25H16Cl2N2O3S/c26-22-13-19(29-33(30,31)21-10-9-16-5-1-2-6-17(16)12-21)14-23(27)25(22)32-20-11-18-7-3-4-8-24(18)28-15-20/h1-15,29H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.29E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239357 (CHEMBL4071197) Show SMILES Clc1ccccc1S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C21H13Cl3N2O3S/c22-16-6-2-4-8-20(16)30(27,28)26-14-10-17(23)21(18(24)11-14)29-15-9-13-5-1-3-7-19(13)25-12-15/h1-12,26H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.81E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50428854 (CHEMBL1236924) Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma LBD expressed in HEK293 cells assessed as coactivator DRIP205 protein recruitment after 18 hrs by HTRF assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239358 (CHEMBL4073314) Show SMILES Cc1cc(ccc1Br)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C22H15BrCl2N2O3S/c1-13-8-17(6-7-18(13)23)31(28,29)27-15-10-19(24)22(20(25)11-15)30-16-9-14-4-2-3-5-21(14)26-12-16/h2-12,27H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239359 (CHEMBL4061965) Show SMILES FC(F)(F)c1cc(ccc1Br)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C22H12BrCl2F3N2O3S/c23-17-6-5-15(10-16(17)22(26,27)28)34(31,32)30-13-8-18(24)21(19(25)9-13)33-14-7-12-3-1-2-4-20(12)29-11-14/h1-11,30H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	957	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239360 (CHEMBL4090529) Show SMILES Fc1cc(c(F)cc1Br)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C21H11BrCl2F2N2O3S/c22-14-8-18(26)20(9-17(14)25)32(29,30)28-12-6-15(23)21(16(24)7-12)31-13-5-11-3-1-2-4-19(11)27-10-13/h1-10,28H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	131	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50239361 (CHEMBL4059819) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C24H20Cl2N2O3S/c1-14-8-15(2)24(16(3)9-14)32(29,30)28-18-11-20(25)23(21(26)12-18)31-19-10-17-6-4-5-7-22(17)27-13-19/h4-13,28H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50428854 (CHEMBL1236924) Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay				J Med Chem 60: 4584-4593 (2017) Article DOI: 10.1021/acs.jmedchem.6b01727 BindingDB Entry DOI: 10.7270/Q23J3G4S
					More data for this Ligand-Target Pair				3D Structure (crystal)