Found 5 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50126017' 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)) | BDBM50126017
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12 Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Agonist activity at PPARgamma |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126017
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12 Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Agonist activity at PPARgamma |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126017
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12 Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27) | 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 | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Transcriptional activation by human PPAR delta |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126017
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12 Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Sains Malaysia
Curated by ChEMBL
| Assay Description Displacement of radio-labeled full agonist from PPARgamma receptor |
Eur J Med Chem 46: 2513-29 (2011)
Article DOI: 10.1016/j.ejmech.2011.03.040 BindingDB Entry DOI: 10.7270/Q2K35V05 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126017
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12 Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27) | 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 | n/a | n/a | 102 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Transcriptional activation by human PPAR gamma |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this Ligand-Target Pair | |