Found 25 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 delta
(Homo sapiens (Human)) | BDBM50122347
((S)-3-{4-[3,3-Bis-(4-bromo-phenyl)-allyloxy]-pheny...)Show SMILES [#6]-[#6]-[#8]-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](\c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1)-[#6](-[#8])=O Show InChI InChI=1S/C26H24Br2O4/c1-2-31-25(26(29)30)17-18-3-13-23(14-4-18)32-16-15-24(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-15,25H,2,16-17H2,1H3,(H,29,30)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50242859
(CHEMBL4072125)Show SMILES CCOC(Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)C(O)=O Show InChI InChI=1S/C24H24O5/c1-2-27-23(24(25)26)16-18-8-10-21(11-9-18)29-22-14-12-20(13-15-22)28-17-19-6-4-3-5-7-19/h3-15,23H,2,16-17H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50109551
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28798
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50242857
(CHEMBL4093975)Show SMILES CC(NC(C)=O)c1nc(no1)-c1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H27N3O5/c1-19(28-20(2)31)27-29-26(30-35-27)21-9-11-22(12-10-21)32-17-6-18-33-23-13-15-25(16-14-23)34-24-7-4-3-5-8-24/h3-5,7-16,19H,6,17-18H2,1-2H3,(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
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 | 4.40 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50099491
(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Mus musculus) | BDBM28798
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50030474
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)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/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50242859
(CHEMBL4072125)Show SMILES CCOC(Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)C(O)=O Show InChI InChI=1S/C24H24O5/c1-2-27-23(24(25)26)16-18-8-10-21(11-9-18)29-22-14-12-20(13-15-22)28-17-19-6-4-3-5-7-19/h3-15,23H,2,16-17H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15 . |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50122347
((S)-3-{4-[3,3-Bis-(4-bromo-phenyl)-allyloxy]-pheny...)Show SMILES [#6]-[#6]-[#8]-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](\c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1)-[#6](-[#8])=O Show InChI InChI=1S/C26H24Br2O4/c1-2-31-25(26(29)30)17-18-3-13-23(14-4-18)32-16-15-24(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-15,25H,2,16-17H2,1H3,(H,29,30)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50242877
(CHEMBL4101577)Show SMILES [#6]-[#6](-[#7]-[#6](-[#6])=O)-c1nc(no1)-c1ccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C27H23Br2N3O3/c1-17(30-18(2)33)27-31-26(32-35-27)21-7-13-24(14-8-21)34-16-15-25(19-3-9-22(28)10-4-19)20-5-11-23(29)12-6-20/h3-15,17H,16H2,1-2H3,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 970 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50122347
((S)-3-{4-[3,3-Bis-(4-bromo-phenyl)-allyloxy]-pheny...)Show SMILES [#6]-[#6]-[#8]-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](\c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1)-[#6](-[#8])=O Show InChI InChI=1S/C26H24Br2O4/c1-2-31-25(26(29)30)17-18-3-13-23(14-4-18)32-16-15-24(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-15,25H,2,16-17H2,1H3,(H,29,30)/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 | n/a | 900 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50242857
(CHEMBL4093975)Show SMILES CC(NC(C)=O)c1nc(no1)-c1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H27N3O5/c1-19(28-20(2)31)27-29-26(30-35-27)21-9-11-22(12-10-21)32-17-6-18-33-23-13-15-25(16-14-23)34-24-7-4-3-5-8-24/h3-5,7-16,19H,6,17-18H2,1-2H3,(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15 . |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Mus musculus) | BDBM28798
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15 . |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50242858
(CHEMBL4092884)Show SMILES CC(NC(C)=O)c1nc(no1)-c1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C21H23N3O6S/c1-14(22-15(2)25)21-23-20(24-29-21)17-6-10-18(11-7-17)28-13-12-16-4-8-19(9-5-16)30-31(3,26)27/h4-11,14H,12-13H2,1-3H3,(H,22,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50242850
(CHEMBL4100619)Show SMILES CC(NC(C)=O)c1nc(no1)-c1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1 Show InChI InChI=1S/C26H24N4O4/c1-17(27-18(2)31)26-28-25(29-34-26)19-11-13-20(14-12-19)32-16-15-30-21-7-3-5-9-23(21)33-24-10-6-4-8-22(24)30/h3-14,17H,15-16H2,1-2H3,(H,27,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50242850
(CHEMBL4100619)Show SMILES CC(NC(C)=O)c1nc(no1)-c1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1 Show InChI InChI=1S/C26H24N4O4/c1-17(27-18(2)31)26-28-25(29-34-26)19-11-13-20(14-12-19)32-16-15-30-21-7-3-5-9-23(21)33-24-10-6-4-8-22(24)30/h3-14,17H,15-16H2,1-2H3,(H,27,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 470 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50242858
(CHEMBL4092884)Show SMILES CC(NC(C)=O)c1nc(no1)-c1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C21H23N3O6S/c1-14(22-15(2)25)21-23-20(24-29-21)17-6-10-18(11-7-17)28-13-12-16-4-8-19(9-5-16)30-31(3,26)27/h4-11,14H,12-13H2,1-3H3,(H,22,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50242859
(CHEMBL4072125)Show SMILES CCOC(Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1)C(O)=O Show InChI InChI=1S/C24H24O5/c1-2-27-23(24(25)26)16-18-8-10-21(11-9-18)29-22-14-12-20(13-15-22)28-17-19-6-4-3-5-7-19/h3-15,23H,2,16-17H2,1H3,(H,25,26) | 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 | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28798
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50242860
(CHEMBL4104138)Show SMILES C[C@H](NC(C)=O)c1nc(no1)-c1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1 |r| Show InChI InChI=1S/C21H23N3O6S/c1-14(22-15(2)25)21-23-20(24-29-21)17-6-10-18(11-7-17)28-13-12-16-4-8-19(9-5-16)30-31(3,26)27/h4-11,14H,12-13H2,1-3H3,(H,22,25)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 990 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50109551
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)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
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 570 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50242860
(CHEMBL4104138)Show SMILES C[C@H](NC(C)=O)c1nc(no1)-c1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1 |r| Show InChI InChI=1S/C21H23N3O6S/c1-14(22-15(2)25)21-23-20(24-29-21)17-6-10-18(11-7-17)28-13-12-16-4-8-19(9-5-16)30-31(3,26)27/h4-11,14H,12-13H2,1-3H3,(H,22,25)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50242877
(CHEMBL4101577)Show SMILES [#6]-[#6](-[#7]-[#6](-[#6])=O)-c1nc(no1)-c1ccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C27H23Br2N3O3/c1-17(30-18(2)33)27-31-26(32-35-27)21-7-13-24(14-8-21)34-16-15-25(19-3-9-22(28)10-4-19)20-5-11-23(29)12-6-20/h3-15,17H,16H2,1-2H3,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 880 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. |
Bioorg Med Chem Lett 27: 3131-3134 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.037 BindingDB Entry DOI: 10.7270/Q20867QZ |
More data for this Ligand-Target Pair | |