Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50013521 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)) | BDBM50131514
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131512
(5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...)Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131503
(5-{3-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131504
(5-(3-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H26ClNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131502
(5-{3-[3-(4-Phenoxy-phenoxy)-propoxy]-phenyl}-thiaz...)Show SMILES Oc1[nH]c(=O)sc1-c1cccc(OCCCOc2ccc(Oc3ccccc3)cc2)c1 Show InChI InChI=1S/C24H21NO5S/c26-23-22(31-24(27)25-23)17-6-4-9-21(16-17)29-15-5-14-28-18-10-12-20(13-11-18)30-19-7-2-1-3-8-19/h1-4,6-13,16,26H,5,14-15H2,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131506
(5-(3-{3-[4-(4-Fluoro-phenoxy)-2-propyl-phenoxy]-pr...)Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H26FNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50127931
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO5S/c1-2-7-20-18-23(33-22-8-4-3-5-9-22)14-15-24(20)32-17-6-16-31-21-12-10-19(11-13-21)25-26(29)28-27(30)34-25/h3-5,8-15,18,29H,2,6-7,16-17H2,1H3,(H,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131501
(5-{3-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C28H29NO5S/c1-2-9-20-18-24(34-22-11-4-3-5-12-22)14-15-25(20)33-17-7-6-16-32-23-13-8-10-21(19-23)26-27(30)29-28(31)35-26/h3-5,8,10-15,18-19,30H,2,6-7,9,16-17H2,1H3,(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131513
(5-(3-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C33H31NO5S/c1-2-8-25-21-29(39-27-15-13-24(14-16-27)23-9-4-3-5-10-23)17-18-30(25)38-20-7-19-37-28-12-6-11-26(22-28)31-32(35)34-33(36)40-31/h3-6,9-18,21-22,35H,2,7-8,19-20H2,1H3,(H,34,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131510
(5-(3-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C31H35NO5S/c1-4-7-23-19-27(37-25-12-10-22(11-13-25)18-21(2)3)14-15-28(23)36-17-6-16-35-26-9-5-8-24(20-26)29-30(33)32-31(34)38-29/h5,8-15,19-21,33H,4,6-7,16-18H2,1-3H3,(H,32,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 291 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131508
(5-(3-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C28H29NO6S/c1-3-6-19-17-24(35-22-11-9-21(32-2)10-12-22)13-14-25(19)34-16-5-15-33-23-8-4-7-20(18-23)26-27(30)29-28(31)36-26/h4,7-14,17-18,30H,3,5-6,15-16H2,1-2H3,(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131507
(5-(3-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenox...)Show SMILES CCCc1cc(Oc2ccc(cc2)C2CCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C32H35NO5S/c1-2-7-24-20-28(38-26-14-12-23(13-15-26)22-8-3-4-9-22)16-17-29(24)37-19-6-18-36-27-11-5-10-25(21-27)30-31(34)33-32(35)39-30/h5,10-17,20-22,34H,2-4,6-9,18-19H2,1H3,(H,33,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131515
(5-(3-{3-[4-(4-tert-Butyl-phenoxy)-2-propyl-phenoxy...)Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C31H35NO5S/c1-5-8-21-19-26(37-24-13-11-23(12-14-24)31(2,3)4)15-16-27(21)36-18-7-17-35-25-10-6-9-22(20-25)28-29(33)32-30(34)38-28/h6,9-16,19-20,33H,5,7-8,17-18H2,1-4H3,(H,32,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |