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) |