Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50037621 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)) | BDBM50122340
((S)-3-[4-(3,3-Diphenyl-allyloxy)-phenyl]-2-ethoxy-...)Show SMILES [#6]-[#6]-[#8]-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)cc1)-[#6](-[#8])=O Show InChI InChI=1S/C26H26O4/c1-2-29-25(26(27)28)19-20-13-15-23(16-14-20)30-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17,25H,2,18-19H2,1H3,(H,27,28)/t25-/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 | 2.70E+3 | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Binding affinity towards peroxisome proliferator activated receptor gamma |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50075315
(5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...)Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Binding affinity towards peroxisome proliferator activated receptor gamma |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50109547
((S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY...)Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc23)cc1)C(O)=O Show InChI InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Binding affinity towards peroxisome proliferator activated receptor gamma |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50175504
(3-{4-[2-(Dibenzo[b,f][1,4]thiazepin-11-yl-methyl-a...)Show SMILES CCOC(Cc1ccc(OCCN(C)C2=Nc3ccccc3Sc3ccccc23)cc1)C(O)=O |t:14| Show InChI InChI=1S/C27H28N2O4S/c1-3-32-23(27(30)31)18-19-12-14-20(15-13-19)33-17-16-29(2)26-21-8-4-6-10-24(21)34-25-11-7-5-9-22(25)28-26/h4-15,23H,3,16-18H2,1-2H3,(H,30,31) | 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 | 9.80E+3 | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Binding affinity towards peroxisome proliferator activated receptor gamma |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50122338
((S)-3-[4-(3,3-Bis-biphenyl-4-yl-allyloxy)-phenyl]-...)Show SMILES [#6]-[#6]-[#8]-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(cc2)-c2ccccc2)-c2ccc(cc2)-c2ccccc2)cc1)-[#6](-[#8])=O Show InChI InChI=1S/C38H34O4/c1-2-41-37(38(39)40)27-28-13-23-35(24-14-28)42-26-25-36(33-19-15-31(16-20-33)29-9-5-3-6-10-29)34-21-17-32(18-22-34)30-11-7-4-8-12-30/h3-25,37H,2,26-27H2,1H3,(H,39,40)/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 | 300 | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Binding affinity towards peroxisome proliferator activated receptor gamma |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |