Found 5404 hits with Last Name = 'connors' and Initial = 'r' 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)) | BDBM29882
(alkynyl ether, 24)Show SMILES OCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O6S/c32-31(33,34)22-9-11-23(12-10-22)39-19-21-8-14-29(27(18-21)38-17-5-1-4-16-35)41-28-15-13-26(40-20-30(36)37)24-6-2-3-7-25(24)28/h8-15,18,35H,2-4,6-7,16-17,19-20H2,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29881
(alkynyl ether, 23)Show SMILES OCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H27F3O6S/c31-30(32,33)21-8-10-22(11-9-21)38-18-20-7-13-28(26(17-20)37-16-4-3-15-34)40-27-14-12-25(39-19-29(35)36)23-5-1-2-6-24(23)27/h7-14,17,34H,1-2,5-6,15-16,18-19H2,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29868
(alkynyl ether, 10)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O Show InChI InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4 | n/a | n/a | n/a | 54 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29885
(alkynyl ether, 27)Show SMILES COCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C32H31F3O6S/c1-38-17-5-2-6-18-39-28-19-22(20-40-24-12-10-23(11-13-24)32(33,34)35)9-15-30(28)42-29-16-14-27(41-21-31(36)37)25-7-3-4-8-26(25)29/h9-16,19H,3-5,7-8,17-18,20-21H2,1H3,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | 470 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50379308
(CHEMBL2011816)Show SMILES CC(C)[C@@H](N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C32H36N4O4/c1-22(2)30(31(38)33-24-15-17-35(18-16-24)20-23-9-5-3-6-10-23)36-21-29(37)34-28-14-13-26(19-27(28)32(36)39)40-25-11-7-4-8-12-25/h3-14,19,22,24,30H,15-18,20-21H2,1-2H3,(H,33,38)(H,34,37)/t30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Ghrelin from human GHSR1a receptor |
Bioorg Med Chem Lett 22: 2046-51 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.014 BindingDB Entry DOI: 10.7270/Q21J9BRV |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29879
(alkynyl ether, 21)Show SMILES CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-17-37-27-18-21(19-38-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(35)36)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29883
(alkynyl ether, 25)Show SMILES C[C@H](O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 |r| Show InChI InChI=1S/C31H29F3O6S/c1-20(35)5-4-16-38-27-17-21(18-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-19-30(36)37)24-6-2-3-7-25(24)28/h8-15,17,20,35H,2-3,6-7,16,18-19H2,1H3,(H,36,37)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29878
(alkynyl ether, 20)Show SMILES CC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H27F3O5S/c1-2-3-16-36-26-17-20(18-37-22-11-9-21(10-12-22)30(31,32)33)8-14-28(26)39-27-15-13-25(38-19-29(34)35)23-6-4-5-7-24(23)27/h8-15,17H,4-7,16,18-19H2,1H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29877
(alkynyl ether, 19)Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)c2CCCCc12 Show InChI InChI=1S/C29H25F3O5S/c1-2-15-35-25-16-19(17-36-21-10-8-20(9-11-21)29(30,31)32)7-13-27(25)38-26-14-12-24(37-18-28(33)34)22-5-3-4-6-23(22)26/h1,7-14,16H,3-6,15,17-18H2,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29867
(phenoxyacetic acid-ether, 9)Show SMILES COCCCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c(C)c1C Show InChI InChI=1S/C28H29F3O6S/c1-18-19(2)25(12-10-23(18)37-17-27(32)33)38-26-11-5-20(15-24(26)35-14-4-13-34-3)16-36-22-8-6-21(7-9-22)28(29,30)31/h5-12,15H,4,13-14,16-17H2,1-3H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29884
(alkynyl ether, 26)Show SMILES COCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O6S/c1-37-16-4-5-17-38-27-18-21(19-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-20-30(35)36)24-6-2-3-7-25(24)28/h8-15,18H,2-3,6-7,16-17,19-20H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29869
(phenoxyacetic acid-ether, 11)Show SMILES COCCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c(C)c1C Show InChI InChI=1S/C27H27F3O6S/c1-17-18(2)24(11-9-22(17)36-16-26(31)32)37-25-10-4-19(14-23(25)34-13-12-33-3)15-35-21-7-5-20(6-8-21)27(28,29)30/h4-11,14H,12-13,15-16H2,1-3H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29891
(alkynyl ether, 33)Show SMILES CCC#CCOc1cc(COc2ccc(cn2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H28F3NO5S/c1-2-3-6-15-37-25-16-20(18-39-28-14-10-21(17-34-28)30(31,32)33)9-12-27(25)40-26-13-11-24(38-19-29(35)36)22-7-4-5-8-23(22)26/h9-14,16-17H,2,4-5,7-8,15,18-19H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29870
(phenoxyacetic acid-ether, 12)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#N)ccc1OCC(O)=O Show InChI InChI=1S/C26H22F3NO5S/c1-16-17(2)23(10-8-21(16)35-15-25(31)32)36-24-9-3-18(13-22(24)33-12-11-30)14-34-20-6-4-19(5-7-20)26(27,28)29/h3-10,13H,12,14-15H2,1-2H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29886
(alkynyl ether, 28)Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#Cc2cccnc2)c2CCCCc12 Show InChI InChI=1S/C34H28F3NO5S/c35-34(36,37)25-10-12-26(13-11-25)42-21-24-9-15-32(30(19-24)41-18-4-6-23-5-3-17-38-20-23)44-31-16-14-29(43-22-33(39)40)27-7-1-2-8-28(27)31/h3,5,9-17,19-20H,1-2,7-8,18,21-22H2,(H,39,40) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | 680 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29884
(alkynyl ether, 26)Show SMILES COCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O6S/c1-37-16-4-5-17-38-27-18-21(19-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-20-30(35)36)24-6-2-3-7-25(24)28/h8-15,18H,2-3,6-7,16-17,19-20H2,1H3,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | 610 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29880
(alkynyl ether, 22)Show SMILES CC(C)(O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C32H31F3O6S/c1-31(2,38)16-5-17-39-27-18-21(19-40-23-11-9-22(10-12-23)32(33,34)35)8-14-29(27)42-28-15-13-26(41-20-30(36)37)24-6-3-4-7-25(24)28/h8-15,18,38H,3-4,6-7,17,19-20H2,1-2H3,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29886
(alkynyl ether, 28)Show SMILES OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#Cc2cccnc2)c2CCCCc12 Show InChI InChI=1S/C34H28F3NO5S/c35-34(36,37)25-10-12-26(13-11-25)42-21-24-9-15-32(30(19-24)41-18-4-6-23-5-3-17-38-20-23)44-31-16-14-29(43-22-33(39)40)27-7-1-2-8-28(27)31/h3,5,9-17,19-20H,1-2,7-8,18,21-22H2,(H,39,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29890
(alkynyl ether, 32)Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H31ClO5S/c1-3-4-7-16-35-28-18-22(19-36-26-12-11-23(32)17-21(26)2)10-14-30(28)38-29-15-13-27(37-20-31(33)34)24-8-5-6-9-25(24)29/h10-15,17-18H,3,5-6,8-9,16,19-20H2,1-2H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29887
(alkynyl ether, 29)Show SMILES CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-16-37-27-17-21(19-38-23-9-7-8-22(18-23)31(32,33)34)12-14-29(27)40-28-15-13-26(39-20-30(35)36)24-10-4-5-11-25(24)28/h7-9,12-15,17-18H,2,4-5,10-11,16,19-20H2,1H3,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29879
(alkynyl ether, 21)Show SMILES CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-17-37-27-18-21(19-38-23-12-10-22(11-13-23)31(32,33)34)9-15-29(27)40-28-16-14-26(39-20-30(35)36)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 33 | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29871
(phenoxyacetic acid-ether, 13)Show SMILES Cc1cc(COc2cc(COc3ccc(cc3)C(F)(F)F)ccc2Sc2ccc(OCC(O)=O)c(C)c2C)no1 Show InChI InChI=1S/C29H26F3NO6S/c1-17-12-22(33-39-17)15-37-25-13-20(14-36-23-7-5-21(6-8-23)29(30,31)32)4-10-27(25)40-26-11-9-24(18(2)19(26)3)38-16-28(34)35/h4-13H,14-16H2,1-3H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 35 | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29887
(alkynyl ether, 29)Show SMILES CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-16-37-27-17-21(19-38-23-9-7-8-22(18-23)31(32,33)34)12-14-29(27)40-28-15-13-26(39-20-30(35)36)24-10-4-5-11-25(24)28/h7-9,12-15,17-18H,2,4-5,10-11,16,19-20H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29872
(phenoxyacetic acid-ether, 14)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCc2cccnc2)ccc1OCC(O)=O Show InChI InChI=1S/C30H26F3NO5S/c1-19-20(2)27(12-10-25(19)39-18-29(35)36)40-28-11-5-21(14-26(28)38-17-22-4-3-13-34-15-22)16-37-24-8-6-23(7-9-24)30(31,32)33/h3-15H,16-18H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29889
(alkynyl ether, 31)Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H29ClO5S/c1-2-3-6-17-34-27-18-21(19-35-23-12-10-22(31)11-13-23)9-15-29(27)37-28-16-14-26(36-20-30(32)33)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29889
(alkynyl ether, 31)Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H29ClO5S/c1-2-3-6-17-34-27-18-21(19-35-23-12-10-22(31)11-13-23)9-15-29(27)37-28-16-14-26(36-20-30(32)33)24-7-4-5-8-25(24)28/h9-16,18H,2,4-5,7-8,17,19-20H2,1H3,(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 39 | n/a | n/a | n/a | 560 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29882
(alkynyl ether, 24)Show SMILES OCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O6S/c32-31(33,34)22-9-11-23(12-10-22)39-19-21-8-14-29(27(18-21)38-17-5-1-4-16-35)41-28-15-13-26(40-20-30(36)37)24-6-2-3-7-25(24)28/h8-15,18,35H,2-4,6-7,16-17,19-20H2,(H,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 43 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29885
(alkynyl ether, 27)Show SMILES COCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C32H31F3O6S/c1-38-17-5-2-6-18-39-28-19-22(20-40-24-12-10-23(11-13-24)32(33,34)35)9-15-30(28)42-29-16-14-27(41-21-31(36)37)25-7-3-4-8-26(25)29/h9-16,19H,3-5,7-8,17-18,20-21H2,1H3,(H,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 44 | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29873
(phenoxyacetic acid-ether, 15)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCc2ccncc2)ccc1OCC(O)=O Show InChI InChI=1S/C30H26F3NO5S/c1-19-20(2)27(10-8-25(19)39-18-29(35)36)40-28-9-3-22(15-26(28)38-16-21-11-13-34-14-12-21)17-37-24-6-4-23(5-7-24)30(31,32)33/h3-15H,16-18H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 47 | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50343835
((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...)Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1 |r| Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting |
Bioorg Med Chem Lett 23: 4608-16 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29874
(phenoxyacetic acid-ether, 16)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC2CCCO2)ccc1OCC(O)=O Show InChI InChI=1S/C29H29F3O6S/c1-18-19(2)26(12-10-24(18)38-17-28(33)34)39-27-11-5-20(14-25(27)37-16-23-4-3-13-35-23)15-36-22-8-6-21(7-9-22)29(30,31)32/h5-12,14,23H,3-4,13,15-17H2,1-2H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 70 | n/a | n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29894
(alkynyl ether, 36)Show SMILES CCC#CCOc1cc(COC2CCCC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C29H34O5S/c1-2-3-8-17-32-26-18-21(19-33-22-9-4-5-10-22)13-15-28(26)35-27-16-14-25(34-20-29(30)31)23-11-6-7-12-24(23)27/h13-16,18,22H,2,4-7,9-12,17,19-20H2,1H3,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 76 | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29878
(alkynyl ether, 20)Show SMILES CC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H27F3O5S/c1-2-3-16-36-26-17-20(18-37-22-11-9-21(10-12-22)30(31,32)33)8-14-28(26)39-27-15-13-25(38-19-29(34)35)23-6-4-5-7-24(23)27/h8-15,17H,4-7,16,18-19H2,1H3,(H,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 77 | n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29883
(alkynyl ether, 25)Show SMILES C[C@H](O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 |r| Show InChI InChI=1S/C31H29F3O6S/c1-20(35)5-4-16-38-27-17-21(18-39-23-11-9-22(10-12-23)31(32,33)34)8-14-29(27)41-28-15-13-26(40-19-30(36)37)24-6-2-3-7-25(24)28/h8-15,17,20,35H,2-3,6-7,16,18-19H2,1H3,(H,36,37)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 79 | n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29891
(alkynyl ether, 33)Show SMILES CCC#CCOc1cc(COc2ccc(cn2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H28F3NO5S/c1-2-3-6-15-37-25-16-20(18-39-28-14-10-21(17-34-28)30(31,32)33)9-12-27(25)40-26-13-11-24(38-19-29(35)36)22-7-4-5-8-23(22)26/h9-14,16-17H,2,4-5,7-8,15,18-19H2,1H3,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 84 | n/a | n/a | n/a | 490 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29880
(alkynyl ether, 22)Show SMILES CC(C)(O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C32H31F3O6S/c1-31(2,38)16-5-17-39-27-18-21(19-40-23-11-9-22(10-12-23)32(33,34)35)8-14-29(27)42-28-15-13-26(41-20-30(36)37)24-6-3-4-7-25(24)28/h8-15,18,38H,3-4,6-7,17,19-20H2,1-2H3,(H,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 84 | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29895
(alkynyl ether, 37)Show SMILES CCC#CCOc1cc(COCC2CC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C28H32O5S/c1-2-3-6-15-32-25-16-21(18-31-17-20-9-10-20)11-13-27(25)34-26-14-12-24(33-19-28(29)30)22-7-4-5-8-23(22)26/h11-14,16,20H,2,4-5,7-10,15,17-19H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | 390 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29888
(alkynyl ether, 30)Show SMILES CCC#CCOc1cc(COc2ccccc2C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-8-17-37-27-18-21(19-38-26-12-7-6-11-24(26)31(32,33)34)13-15-29(27)40-28-16-14-25(39-20-30(35)36)22-9-4-5-10-23(22)28/h6-7,11-16,18H,2,4-5,9-10,17,19-20H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29895
(alkynyl ether, 37)Show SMILES CCC#CCOc1cc(COCC2CC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C28H32O5S/c1-2-3-6-15-32-25-16-21(18-31-17-20-9-10-20)11-13-27(25)34-26-14-12-24(33-19-28(29)30)22-7-4-5-8-23(22)26/h11-14,16,20H,2,4-5,7-10,15,17-19H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29894
(alkynyl ether, 36)Show SMILES CCC#CCOc1cc(COC2CCCC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C29H34O5S/c1-2-3-8-17-32-26-18-21(19-33-22-9-4-5-10-22)13-15-28(26)35-27-16-14-25(34-20-29(30)31)23-11-6-7-12-24(23)27/h13-16,18,22H,2,4-7,9-12,17,19-20H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 150 | n/a | n/a | n/a | 900 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29890
(alkynyl ether, 32)Show SMILES CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H31ClO5S/c1-3-4-7-16-35-28-18-22(19-36-26-12-11-23(32)17-21(26)2)10-14-30(28)38-29-15-13-27(37-20-31(33)34)24-8-5-6-9-25(24)29/h10-15,17-18H,3,5-6,8-9,16,19-20H2,1-2H3,(H,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 150 | n/a | n/a | n/a | 610 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29888
(alkynyl ether, 30)Show SMILES CCC#CCOc1cc(COc2ccccc2C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-8-17-37-27-18-21(19-38-26-12-7-6-11-24(26)31(32,33)34)13-15-29(27)40-28-16-14-25(39-20-30(35)36)22-9-4-5-10-23(22)28/h6-7,11-16,18H,2,4-5,9-10,17,19-20H2,1H3,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 170 | n/a | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50438113
(CHEMBL1092481)Show InChI InChI=1S/C23H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)26-23(17-18-23)22(24)25/h13-16H,2-12,17-18H2,1H3,(H3,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting |
Bioorg Med Chem Lett 23: 4608-16 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29893
(alkynyl ether, 35)Show SMILES CCC#CCOc1cc(COC2CCOCC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C29H34O6S/c1-2-3-6-15-33-26-18-21(19-34-22-13-16-32-17-14-22)9-11-28(26)36-27-12-10-25(35-20-29(30)31)23-7-4-5-8-24(23)27/h9-12,18,22H,2,4-5,7-8,13-17,19-20H2,1H3,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM29868
(alkynyl ether, 10)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O Show InChI InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 210 | -37.7 | n/a | n/a | 6.10E+3 | n/a | n/a | 7.1 | 22 |
Amgen
| Assay Description The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29881
(alkynyl ether, 23)Show SMILES OCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C30H27F3O6S/c31-30(32,33)21-8-10-22(11-9-21)38-18-20-7-13-28(26(17-20)37-16-4-3-15-34)40-27-14-12-25(39-19-29(35)36)23-5-1-2-6-24(23)27/h7-14,17,34H,1-2,5-6,15-16,18-19H2,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 210 | n/a | n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM29875
(phenoxyacetic acid-ether, 17)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCCN2CCOCC2)ccc1OCC(O)=O Show InChI InChI=1S/C30H32F3NO6S/c1-20-21(2)27(10-8-25(20)40-19-29(35)36)41-28-9-3-22(17-26(28)38-16-13-34-11-14-37-15-12-34)18-39-24-6-4-23(5-7-24)30(31,32)33/h3-10,17H,11-16,18-19H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 270 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM29868
(alkynyl ether, 10)Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O Show InChI InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Amgen
| Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti... |
Bioorg Med Chem Lett 19: 3550-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0 |
More data for this Ligand-Target Pair | |
Sphingosine kinase 1
(Homo sapiens (Human)) | BDBM50312869
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting |
Bioorg Med Chem Lett 23: 4608-16 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50438113
(CHEMBL1092481)Show InChI InChI=1S/C23H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)26-23(17-18-23)22(24)25/h13-16H,2-12,17-18H2,1H3,(H3,24,25)(H,26,27) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting |
Bioorg Med Chem Lett 23: 4608-16 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3 |
More data for this Ligand-Target Pair | |