Found 12 hits of Enzyme Inhibition Constant Data 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)) | BDBM50134840
((S)-2-Ethoxy-3-[4-((E)-5-phenyl-pent-2-en-4-ynylox...)Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C22H22O4/c1-2-25-21(22(23)24)17-19-12-14-20(15-13-19)26-16-8-4-7-11-18-9-5-3-6-10-18/h3-6,8-10,12-15,21H,2,16-17H2,1H3,(H,23,24)/b8-4+/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50215120
(2-(2-methyl-4-(2-(3-morpholinoprop-1-ynyl)-6-(2-(4...)Show SMILES Cc1cc(Sc2cc(nc(c2)C#Cc2ccc(cc2)C(F)(F)F)C#CCN2CCOCC2)ccc1OCC(O)=O Show InChI InChI=1S/C30H25F3N2O4S/c1-21-17-26(10-11-28(21)39-20-29(36)37)40-27-18-24(3-2-12-35-13-15-38-16-14-35)34-25(19-27)9-6-22-4-7-23(8-5-22)30(31,32)33/h4-5,7-8,10-11,17-19H,12-16,20H2,1H3,(H,36,37) | 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 | 5.50E+3 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50215120
(2-(2-methyl-4-(2-(3-morpholinoprop-1-ynyl)-6-(2-(4...)Show SMILES Cc1cc(Sc2cc(nc(c2)C#Cc2ccc(cc2)C(F)(F)F)C#CCN2CCOCC2)ccc1OCC(O)=O Show InChI InChI=1S/C30H25F3N2O4S/c1-21-17-26(10-11-28(21)39-20-29(36)37)40-27-18-24(3-2-12-35-13-15-38-16-14-35)34-25(19-27)9-6-22-4-7-23(8-5-22)30(31,32)33/h4-5,7-8,10-11,17-19H,12-16,20H2,1H3,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARdelta by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28661
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28661
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50134840
((S)-2-Ethoxy-3-[4-((E)-5-phenyl-pent-2-en-4-ynylox...)Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C22H22O4/c1-2-25-21(22(23)24)17-19-12-14-20(15-13-19)26-16-8-4-7-11-18-9-5-3-6-10-18/h3-6,8-10,12-15,21H,2,16-17H2,1H3,(H,23,24)/b8-4+/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM28661
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARdelta by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50215120
(2-(2-methyl-4-(2-(3-morpholinoprop-1-ynyl)-6-(2-(4...)Show SMILES Cc1cc(Sc2cc(nc(c2)C#Cc2ccc(cc2)C(F)(F)F)C#CCN2CCOCC2)ccc1OCC(O)=O Show InChI InChI=1S/C30H25F3N2O4S/c1-21-17-26(10-11-28(21)39-20-29(36)37)40-27-18-24(3-2-12-35-13-15-38-16-14-35)34-25(19-27)9-6-22-4-7-23(8-5-22)30(31,32)33/h4-5,7-8,10-11,17-19H,12-16,20H2,1H3,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50215122
(2-(7-(2-(3-morpholinoprop-1-ynyl)-6-(2-(4-(trifluo...)Show SMILES OC(=O)COc1ccc(Sc2cc(nc(c2)C#Cc2ccc(cc2)C(F)(F)F)C#CCN2CCOCC2)c2CCCc12 Show InChI InChI=1S/C32H27F3N2O4S/c33-32(34,35)23-9-6-22(7-10-23)8-11-25-20-26(19-24(36-25)3-2-14-37-15-17-40-18-16-37)42-30-13-12-29(41-21-31(38)39)27-4-1-5-28(27)30/h6-7,9-10,12-13,19-20H,1,4-5,14-18,21H2,(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARdelta by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50134840
((S)-2-Ethoxy-3-[4-((E)-5-phenyl-pent-2-en-4-ynylox...)Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C22H22O4/c1-2-25-21(22(23)24)17-19-12-14-20(15-13-19)26-16-8-4-7-11-18-9-5-3-6-10-18/h3-6,8-10,12-15,21H,2,16-17H2,1H3,(H,23,24)/b8-4+/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARdelta by transactivation assay |
Bioorg Med Chem Lett 17: 4625-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.079 BindingDB Entry DOI: 10.7270/Q2MP5430 |
More data for this Ligand-Target Pair | |