Found 374 hits with Last Name = 'wang' and Initial = 'pr' 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 alpha
(Homo sapiens (Human)) | BDBM50168554
((R)-7-{3-[2-Chloro-4-(1,1-dimethyl-propyl)-phenoxy...)Show SMILES CCC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C25H31ClO5/c1-5-24(2,3)18-8-10-21(20(26)15-18)30-14-6-13-29-19-9-7-17-11-12-25(4,23(27)28)31-22(17)16-19/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168544
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O Show InChI InChI=1S/C27H33ClO5/c1-2-27(26(29)30)14-13-20-9-11-22(18-25(20)33-27)31-15-6-16-32-24-12-10-21(17-23(24)28)19-7-4-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3,(H,29,30)/t27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168557
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)Show SMILES CC(C)Cc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C24H29ClO5/c1-16(2)13-17-5-8-21(20(25)14-17)29-12-4-11-28-19-7-6-18-9-10-24(3,23(26)27)30-22(18)15-19/h5-8,14-16H,4,9-13H2,1-3H3,(H,26,27)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168543
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O Show InChI InChI=1S/C26H31ClO5/c1-26(25(28)29)13-12-19-8-10-21(17-24(19)32-26)30-14-5-15-31-23-11-9-20(16-22(23)27)18-6-3-2-4-7-18/h8-11,16-18H,2-7,12-15H2,1H3,(H,28,29)/t26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168555
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(CC(C)C)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C25H31ClO5/c1-4-25(24(27)28)11-10-19-7-8-20(16-23(19)31-25)29-12-5-13-30-22-9-6-18(14-17(2)3)15-21(22)26/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,27,28)/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168572
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C22H22ClF3O6/c1-2-21(20(27)28)9-8-14-4-5-15(13-19(14)32-21)29-10-3-11-30-18-7-6-16(12-17(18)23)31-22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168567
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)C)cc2O1)C(O)=O Show InChI InChI=1S/C24H29ClO5/c1-4-24(23(26)27)11-10-17-6-8-19(15-22(17)30-24)28-12-5-13-29-21-9-7-18(16(2)3)14-20(21)25/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,27)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168560
((R)-7-[3-(2-Chloro-4-cyclopentyl-phenoxy)-propoxy]...)Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCC3)cc2O1)C(O)=O Show InChI InChI=1S/C25H29ClO5/c1-25(24(27)28)12-11-18-7-9-20(16-23(18)31-25)29-13-4-14-30-22-10-8-19(15-21(22)26)17-5-2-3-6-17/h7-10,15-17H,2-6,11-14H2,1H3,(H,27,28)/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168558
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)Show SMILES CC(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C23H27ClO5/c1-15(2)17-6-8-20(19(24)13-17)28-12-4-11-27-18-7-5-16-9-10-23(3,22(25)26)29-21(16)14-18/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168547
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H20ClF3O6/c1-20(19(26)27)8-7-13-3-4-14(12-18(13)31-20)28-9-2-10-29-17-6-5-15(11-16(17)22)30-21(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,26,27)/t20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50148090
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50148090
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50148110
((R)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168553
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C23H24ClF3O6/c1-2-22(21(28)29)9-8-15-4-5-17(13-20(15)33-22)30-10-3-11-31-19-7-6-16(12-18(19)24)32-14-23(25,26)27/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,28,29)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168565
((R)-7-[3-(2-Chloro-4-trifluoromethyl-phenoxy)-prop...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(F)(F)F)cc2O1)C(O)=O Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)9-8-14-4-6-16(13-19(14)31-21)29-10-3-11-30-18-7-5-15(12-17(18)23)22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168571
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C22H22ClF3O6/c1-21(20(27)28)8-7-14-3-4-16(12-19(14)32-21)29-9-2-10-30-18-6-5-15(11-17(18)23)31-13-22(24,25)26/h3-6,11-12H,2,7-10,13H2,1H3,(H,27,28)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50148097
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-ethyl...)Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C27H27ClO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50148092
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-methy...)Show SMILES CC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168545
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C26H24ClFO6/c1-26(25(29)30)12-11-17-3-6-20(16-24(17)34-26)31-13-2-14-32-23-10-9-21(15-22(23)27)33-19-7-4-18(28)5-8-19/h3-10,15-16H,2,11-14H2,1H3,(H,29,30)/t26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50072378
(CHEMBL104193 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C30H33N5O4S/c36-29(25-7-4-18-31-21-25)22-32-19-16-24-8-10-27(11-9-24)35-40(38,39)28-14-12-26(13-15-28)34-30(37)33-20-17-23-5-2-1-3-6-23/h1-15,18,21,29,32,35-36H,16-17,19-20,22H2,(H2,33,34,37)/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Beta-1 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol |
Bioorg Med Chem Lett 8: 3087-92 (1999)
BindingDB Entry DOI: 10.7270/Q25H7FF6 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168556
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)(C)C)cc2O1)C(O)=O Show InChI InChI=1S/C25H31ClO5/c1-5-25(23(27)28)12-11-17-7-9-19(16-22(17)31-25)29-13-6-14-30-21-10-8-18(15-20(21)26)24(2,3)4/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR gamma receptor using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50072378
(CHEMBL104193 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C30H33N5O4S/c36-29(25-7-4-18-31-21-25)22-32-19-16-24-8-10-27(11-9-24)35-40(38,39)28-14-12-26(13-15-28)34-30(37)33-20-17-23-5-2-1-3-6-23/h1-15,18,21,29,32,35-36H,16-17,19-20,22H2,(H2,33,34,37)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Beta-2 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol |
Bioorg Med Chem Lett 8: 3087-92 (1999)
BindingDB Entry DOI: 10.7270/Q25H7FF6 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168546
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)Show SMILES CC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C24H29ClO5/c1-23(2,3)17-7-9-20(19(25)14-17)29-13-5-12-28-18-8-6-16-10-11-24(4,22(26)27)30-21(16)15-18/h6-9,14-15H,5,10-13H2,1-4H3,(H,26,27)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168548
((R)-7-[3-(2-Chloro-4-isopropoxy-phenoxy)-propoxy]-...)Show SMILES CC(C)Oc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C23H27ClO6/c1-15(2)29-18-7-8-20(19(24)13-18)28-12-4-11-27-17-6-5-16-9-10-23(3,22(25)26)30-21(16)14-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50148110
((R)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m1/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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50148090
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1 | 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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50148090
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1 | 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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARgamma |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50075892
(CHEMBL83753 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)Show SMILES CCCCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O Show InChI InChI=1S/C32H41N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,22-24,31,34-35,38H,2-7,18,20-21,25H2,1H3/t31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol |
Bioorg Med Chem Lett 9: 755-8 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60N7C |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50148094
(2-Ethyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy]...)Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O Show InChI InChI=1S/C30H34O6/c1-3-9-23-20-26(35-24-10-6-5-7-11-24)14-15-27(23)34-19-8-18-33-25-13-12-22-16-17-30(4-2,29(31)32)36-28(22)21-25/h5-7,10-15,20-21H,3-4,8-9,16-19H2,1-2H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50148107
(2-Ethyl-7-{3-[4-(4-methanesulfonyl-phenoxy)-2-prop...)Show SMILES CCCc1cc(Oc2ccc(cc2)S(C)(=O)=O)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O Show InChI InChI=1S/C31H36O8S/c1-4-7-23-20-26(38-24-10-13-27(14-11-24)40(3,34)35)12-15-28(23)37-19-6-18-36-25-9-8-22-16-17-31(5-2,30(32)33)39-29(22)21-25/h8-15,20-21H,4-7,16-19H2,1-3H3,(H,32,33) | 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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR gamma receptor using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50148109
(7-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-2-propy...)Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CCC)(Oc2c1)C(O)=O Show InChI InChI=1S/C31H36O6/c1-3-9-24-21-27(36-25-10-6-5-7-11-25)14-15-28(24)35-20-8-19-34-26-13-12-23-16-18-31(17-4-2,30(32)33)37-29(23)22-26/h5-7,10-15,21-22H,3-4,8-9,16-20H2,1-2H3,(H,32,33) | 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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50148096
(2-Ethyl-7-[3-(2-fluoro-4-phenoxy-phenoxy)-propoxy]...)Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3F)cc2O1)C(O)=O Show InChI InChI=1S/C27H27FO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50075897
(CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol |
Bioorg Med Chem Lett 9: 755-8 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60N7C |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168563
((R)-7-[3-(2-Chloro-4-cyclobutylmethoxy-phenoxy)-pr...)Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CCC4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C25H29ClO6/c1-25(24(27)28)11-10-18-6-7-20(15-23(18)32-25)29-12-3-13-30-22-9-8-19(14-21(22)26)31-16-17-4-2-5-17/h6-9,14-15,17H,2-5,10-13,16H2,1H3,(H,27,28)/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168559
((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50072392
(CHEMBL323113 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C30H41N5O4S/c1-2-3-4-5-6-7-20-33-30(37)34-26-14-16-28(17-15-26)40(38,39)35-27-12-10-24(11-13-27)18-21-32-23-29(36)25-9-8-19-31-22-25/h8-17,19,22,29,32,35-36H,2-7,18,20-21,23H2,1H3,(H2,33,34,37)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Beta-2 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol |
Bioorg Med Chem Lett 8: 3087-92 (1999)
BindingDB Entry DOI: 10.7270/Q25H7FF6 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50148094
(2-Ethyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy]...)Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O Show InChI InChI=1S/C30H34O6/c1-3-9-23-20-26(35-24-10-6-5-7-11-24)14-15-27(23)34-19-8-18-33-25-13-12-22-16-17-30(4-2,29(31)32)36-28(22)21-25/h5-7,10-15,20-21H,3-4,8-9,16-19H2,1-2H3,(H,31,32) | 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 | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50168547
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C21H20ClF3O6/c1-20(19(26)27)8-7-13-3-4-14(12-18(13)31-20)28-9-2-10-29-17-6-5-15(11-16(17)22)30-21(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,26,27)/t20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARdelta |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50075897
(CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol |
Bioorg Med Chem Lett 9: 755-8 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60N7C |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168542
((R)-7-[3-(2-Chloro-4-cyclopropylmethoxy-phenoxy)-p...)Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CC4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C24H27ClO6/c1-24(23(26)27)10-9-17-5-6-19(14-22(17)31-24)28-11-2-12-29-21-8-7-18(13-20(21)25)30-15-16-3-4-16/h5-8,13-14,16H,2-4,9-12,15H2,1H3,(H,26,27)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168549
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O Show InChI InChI=1S/C29H35ClO5/c1-2-29(27(31)32)13-10-21-4-6-23(19-26(21)35-29)33-16-3-17-34-25-7-5-22(18-24(25)30)20-8-11-28(12-9-20)14-15-28/h4-7,18-20H,2-3,8-17H2,1H3,(H,31,32)/t29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50148105
(2-Ethyl-7-{3-[4-(4-methoxy-phenoxy)-2-propyl-pheno...)Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O Show InChI InChI=1S/C31H36O7/c1-4-7-23-20-27(37-25-12-10-24(34-3)11-13-25)14-15-28(23)36-19-6-18-35-26-9-8-22-16-17-31(5-2,30(32)33)38-29(22)21-26/h8-15,20-21H,4-7,16-19H2,1-3H3,(H,32,33) | 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 | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50148097
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-ethyl...)Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C27H27ClO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30) | 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 | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR gamma receptor using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168570
((R)-7-{3-[2-Chloro-4-(tetrahydro-pyran-4-yl)-pheno...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCOCC3)cc2O1)C(O)=O Show InChI InChI=1S/C26H31ClO6/c1-2-26(25(28)29)11-8-19-4-6-21(17-24(19)33-26)31-12-3-13-32-23-7-5-20(16-22(23)27)18-9-14-30-15-10-18/h4-7,16-18H,2-3,8-15H2,1H3,(H,28,29)/t26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50148089
(2-Methyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy...)Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(C)(Oc2c1)C(O)=O Show InChI InChI=1S/C29H32O6/c1-3-8-22-19-25(34-23-9-5-4-6-10-23)13-14-26(22)33-18-7-17-32-24-12-11-21-15-16-29(2,28(30)31)35-27(21)20-24/h4-6,9-14,19-20H,3,7-8,15-18H2,1-2H3,(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 | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA) |
J Med Chem 47: 3255-63 (2004)
Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50075906
(4-[3-(3-Cyclopentyl-propyl)-2-oxo-imidazolidin-1-y...)Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC3CCCC3)C2=O)cc1)c1cccnc1 Show InChI InChI=1S/C32H41N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,23,25,31,34-35,38H,1-2,4-7,17,19-22,24H2/t31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol |
Bioorg Med Chem Lett 9: 755-8 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60N7C |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50075911
(4-[3-(3-Cyclopentyl-propyl)-2-oxo-2,3-dihydro-imid...)Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(CCCC3CCCC3)c2=O)cc1)c1cccnc1 Show InChI InChI=1S/C32H39N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,21-23,25,31,34-35,38H,1-2,4-7,17,19-20,24H2/t31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol |
Bioorg Med Chem Lett 9: 755-8 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60N7C |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168564
(7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...)Show SMILES OC(=O)C1CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1 Show InChI InChI=1S/C21H20ClF3O6/c22-16-10-14(30-12-21(23,24)25)5-7-17(16)29-9-1-8-28-15-4-2-13-3-6-18(20(26)27)31-19(13)11-15/h2,4-5,7,10-11,18H,1,3,6,8-9,12H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50072373
((4-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)...)Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCCc3ccccc3)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C30H32N4O5S/c35-29(25-7-4-18-31-21-25)22-32-19-16-24-8-10-27(11-9-24)34-40(37,38)28-14-12-26(13-15-28)33-30(36)39-20-17-23-5-2-1-3-6-23/h1-15,18,21,29,32,34-35H,16-17,19-20,22H2,(H,33,36)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Beta-2 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol |
Bioorg Med Chem Lett 8: 3087-92 (1999)
BindingDB Entry DOI: 10.7270/Q25H7FF6 |
More data for this
Ligand-Target Pair | |
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