Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50423008' 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)) | BDBM50423008
(CHEMBL230804)Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)CCc2ccc(SC(C)(C)C(O)=O)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C47H47N3O6S/c1-32-41(50-45(56-32)36-14-8-5-9-15-36)28-29-55-38-23-18-34(19-24-38)30-37(49-42-17-11-10-16-40(42)44(52)35-12-6-4-7-13-35)31-48-43(51)27-22-33-20-25-39(26-21-33)57-47(2,3)46(53)54/h4-21,23-26,37,49H,22,27-31H2,1-3H3,(H,48,51)(H,53,54)/t37-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay |
Bioorg Med Chem Lett 17: 3916-20 (2007)
Checked by Author Article DOI: 10.1016/j.bmcl.2007.04.111 BindingDB Entry DOI: 10.7270/Q2R49S33 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50423008
(CHEMBL230804)Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)CCc2ccc(SC(C)(C)C(O)=O)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C47H47N3O6S/c1-32-41(50-45(56-32)36-14-8-5-9-15-36)28-29-55-38-23-18-34(19-24-38)30-37(49-42-17-11-10-16-40(42)44(52)35-12-6-4-7-13-35)31-48-43(51)27-22-33-20-25-39(26-21-33)57-47(2,3)46(53)54/h4-21,23-26,37,49H,22,27-31H2,1-3H3,(H,48,51)(H,53,54)/t37-/m0/s1 | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of BRL-49653 stimulated human PPARgamma transactivation in CV-1 cells by GAL4 reporter assay |
Bioorg Med Chem Lett 17: 3916-20 (2007)
Checked by Author Article DOI: 10.1016/j.bmcl.2007.04.111 BindingDB Entry DOI: 10.7270/Q2R49S33 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50423008
(CHEMBL230804)Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)CCc2ccc(SC(C)(C)C(O)=O)cc2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C47H47N3O6S/c1-32-41(50-45(56-32)36-14-8-5-9-15-36)28-29-55-38-23-18-34(19-24-38)30-37(49-42-17-11-10-16-40(42)44(52)35-12-6-4-7-13-35)31-48-43(51)27-22-33-20-25-39(26-21-33)57-47(2,3)46(53)54/h4-21,23-26,37,49H,22,27-31H2,1-3H3,(H,48,51)(H,53,54)/t37-/m0/s1 | 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 | <1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Transactivation of human PPARgamma in CV-1 cells by GAL4 reporter assay |
Bioorg Med Chem Lett 17: 3916-20 (2007)
Checked by Author Article DOI: 10.1016/j.bmcl.2007.04.111 BindingDB Entry DOI: 10.7270/Q2R49S33 |
More data for this Ligand-Target Pair | |