Found 218 hits with Last Name = 'dacquet' and Initial = 'c' 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 |
|---|
Substance-P receptor
(Homo sapiens (Human)) | BDBM50290462
(CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...)Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12 Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for NK-1 receptor was determined in a radioligand binding assay using IM9 human lymphoblastoma cell line. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50290462
(CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...)Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12 Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for NK-3 receptor was determined in vitro using isolated rat portal vein. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Oryctolagus cuniculus) | BDBM50290461
(CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...)Show SMILES OC1CC(N(C1)C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C39H36F6N8O5/c40-38(41,42)24-13-22(14-25(16-24)39(43,44)45)21-58-37(57)31(15-23-18-46-30-9-3-1-7-27(23)30)47-35(55)33-17-26(54)19-53(33)36(56)29-20-52(32-10-4-2-8-28(29)32)12-6-5-11-34-48-50-51-49-34/h1-4,7-10,13-14,16,18,20,26,31,33,46,54H,5-6,11-12,15,17,19,21H2,(H2,47,48,49,50,51,55)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50290461
(CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...)Show SMILES OC1CC(N(C1)C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C39H36F6N8O5/c40-38(41,42)24-13-22(14-25(16-24)39(43,44)45)21-58-37(57)31(15-23-18-46-30-9-3-1-7-27(23)30)47-35(55)33-17-26(54)19-53(33)36(56)29-20-52(32-10-4-2-8-28(29)32)12-6-5-11-34-48-50-51-49-34/h1-4,7-10,13-14,16,18,20,26,31,33,46,54H,5-6,11-12,15,17,19,21H2,(H2,47,48,49,50,51,55)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for NK-3 receptor was determined in vitro using isolated rat portal vein. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Oryctolagus cuniculus) | BDBM50290462
(CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...)Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12 Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
More data for this
Ligand-Target Pair | |
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
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| Purchase
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| DrugBank
PDB
Article
PubMed
| 8 | -43.0 | n/a | n/a | n/a | n/a | n/a | 8.2 | 4 |
Université de Rennes 1
| Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD... |
J Enzyme Inhib Med Chem 25: 653-72 (2010)
Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
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antibodypedia
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| CHEMBL
PC cid
PC sid
PDB
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Similars
| PDB
Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
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Similars
| PDB
Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50290461
(CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...)Show SMILES OC1CC(N(C1)C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C39H36F6N8O5/c40-38(41,42)24-13-22(14-25(16-24)39(43,44)45)21-58-37(57)31(15-23-18-46-30-9-3-1-7-27(23)30)47-35(55)33-17-26(54)19-53(33)36(56)29-20-52(32-10-4-2-8-28(29)32)12-6-5-11-34-48-50-51-49-34/h1-4,7-10,13-14,16,18,20,26,31,33,46,54H,5-6,11-12,15,17,19,21H2,(H2,47,48,49,50,51,55)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonistic potency for NK-1 receptor was determined in a radioligand binding assay, using IM9 human lymphoblastoma cell line. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50290461
(CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...)Show SMILES OC1CC(N(C1)C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C39H36F6N8O5/c40-38(41,42)24-13-22(14-25(16-24)39(43,44)45)21-58-37(57)31(15-23-18-46-30-9-3-1-7-27(23)30)47-35(55)33-17-26(54)19-53(33)36(56)29-20-52(32-10-4-2-8-28(29)32)12-6-5-11-34-48-50-51-49-34/h1-4,7-10,13-14,16,18,20,26,31,33,46,54H,5-6,11-12,15,17,19,21H2,(H2,47,48,49,50,51,55)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for NK-1 receptor was determined in vitro using isolated rabbit vena cava. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50290462
(CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...)Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12 Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonistic potency for NK-2 receptor was determined in vitro, using isolated rabbit pulmonary artery. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
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
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234375
((S)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-/t29-/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
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294690
((S)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OC)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30+/t29-/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
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294688
((S)-3-(4-(2-(6-((benzyloxyimino)(phenyl)methyl)-4,...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OCc2ccccc2)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C38H42N2O5/c1-4-43-35(37(41)42)25-28-15-18-32(19-16-28)44-24-23-40-22-21-38(2,3)33-26-31(17-20-34(33)40)36(30-13-9-6-10-14-30)39-45-27-29-11-7-5-8-12-29/h5-20,26,35H,4,21-25,27H2,1-3H3,(H,41,42)/b39-36+/t35-/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
| 18.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294692
((S)-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)-4,4-...)Show SMILES CO\N=C(/c1ccccc1)c1ccc2N(CCOc3ccc(C[C@H](OCC(F)(F)F)C(O)=O)cc3)CCC(C)(C)c2c1 |r| Show InChI InChI=1S/C32H35F3N2O5/c1-31(2)15-16-37(27-14-11-24(20-26(27)31)29(36-40-3)23-7-5-4-6-8-23)17-18-41-25-12-9-22(10-13-25)19-28(30(38)39)42-21-32(33,34)35/h4-14,20,28H,15-19,21H2,1-3H3,(H,38,39)/b36-29+/t28-/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
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234377
(2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)...)Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O |w:3.3| Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294691
((S)-2-(2-benzoylphenylamino)-3-(4-(2-(6-((methoxyi...)Show SMILES CO\N=C(/c1ccccc1)c1ccc2N(CCOc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(O)=O)cc3)CCC(C)(C)c2c1 |r| Show InChI InChI=1S/C43H43N3O5/c1-43(2)24-25-46(39-23-20-33(29-36(39)43)40(45-50-3)31-12-6-4-7-13-31)26-27-51-34-21-18-30(19-22-34)28-38(42(48)49)44-37-17-11-10-16-35(37)41(47)32-14-8-5-9-15-32/h4-23,29,38,44H,24-28H2,1-3H3,(H,48,49)/b45-40+/t38-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294689
((S)-3-(4-(2-(6-((allyloxyimino)(phenyl)methyl)-4,4...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OCC=C)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C34H40N2O5/c1-5-21-41-35-32(26-10-8-7-9-11-26)27-14-17-30-29(24-27)34(3,4)18-19-36(30)20-22-40-28-15-12-25(13-16-28)23-31(33(37)38)39-6-2/h5,7-17,24,31H,1,6,18-23H2,2-4H3,(H,37,38)/b35-32+/t31-/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
| 54.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234372
((R)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...)Show SMILES CCO[C@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-/t29-/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
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294693
((S)-3-(4-(2-(6-((cyclopropylmethoxyimino)(phenyl)m...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OCC2CC2)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C35H42N2O5/c1-4-40-32(34(38)39)22-25-12-15-29(16-13-25)41-21-20-37-19-18-35(2,3)30-23-28(14-17-31(30)37)33(27-8-6-5-7-9-27)36-42-24-26-10-11-26/h5-9,12-17,23,26,32H,4,10-11,18-22,24H2,1-3H3,(H,38,39)/b36-33+/t32-/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
| 254 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM233176
(Sodium 8-hydroxy-8-(2-octyloxy-quinolin-3-yl)-oct-...)Show SMILES CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C25H33NO4/c1-2-3-4-5-8-13-18-30-25-21(19-20-14-11-12-15-22(20)26-25)23(27)16-9-6-7-10-17-24(28)29/h11-12,14-15,19,23,27H,2-5,7-8,10,13,16-18H2,1H3,(H,28,29)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 378 | -34.1 | n/a | n/a | n/a | n/a | n/a | 8.2 | 4 |
Université de Rennes 1
| Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD... |
J Enzyme Inhib Med Chem 25: 653-72 (2010)
Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172823
(8-Hydroxy-8-(2-pentyloxy-phenyl)-octanoic acid met...)Show InChI InChI=1S/C20H32O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-8,11,13,15-16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 515 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172805
(9-Hydroxy-9-(3-pentyloxy-naphthalen-2-yl)-nonanoic...)Show InChI InChI=1S/C25H36O4/c1-3-4-12-17-29-24-19-21-14-11-10-13-20(21)18-22(24)23(26)15-8-6-5-7-9-16-25(27)28-2/h10-11,13-14,18-19,23,26H,3-9,12,15-17H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 579 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM233183
(Sodium 8-hydroxy-8-(6-methoxy-2-pentyloxy-quinolin...)Show SMILES CCCCCOc1nc2ccc(OC)cc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C23H29NO5/c1-3-4-9-14-29-23-19(21(25)10-7-5-6-8-11-22(26)27)16-17-15-18(28-2)12-13-20(17)24-23/h12-13,15-16,21,25H,3-4,6,8-11,14H2,1-2H3,(H,26,27)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 583 | -33.1 | n/a | n/a | n/a | n/a | n/a | 8.2 | 4 |
Université de Rennes 1
| Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD... |
J Enzyme Inhib Med Chem 25: 653-72 (2010)
Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234373
(CHEMBL253851 | ethyl 2-ethoxy-3-(4-(2-(6-((hydroxy...)Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(N=O)c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C33H40N2O5/c1-5-38-30(32(36)39-6-2)22-24-12-15-27(16-13-24)40-21-20-35-19-18-33(3,4)28-23-26(14-17-29(28)35)31(34-37)25-10-8-7-9-11-25/h7-17,23,30-31H,5-6,18-22H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 618 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172816
(8-Hydroxy-8-(3-pentyloxy-naphthalen-2-yl)-oct-5-yn...)Show InChI InChI=1S/C24H30O4/c1-3-4-11-16-28-23-18-20-13-10-9-12-19(20)17-21(23)22(25)14-7-5-6-8-15-24(26)27-2/h9-10,12-13,17-18,22,25H,3-4,6,8,11,14-16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 695 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172806
((E)-8-Hydroxy-8-(3-pentyloxy-naphthalen-2-yl)-oct-...)Show InChI InChI=1S/C24H32O4/c1-3-4-11-16-28-23-18-20-13-10-9-12-19(20)17-21(23)22(25)14-7-5-6-8-15-24(26)27-2/h5,7,9-10,12-13,17-18,22,25H,3-4,6,8,11,14-16H2,1-2H3/b7-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 718 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172802
(CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...)Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 947 | -32.0 | n/a | n/a | n/a | n/a | n/a | 8.2 | 4 |
Université de Rennes 1
| Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD... |
J Enzyme Inhib Med Chem 25: 653-72 (2010)
Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172802
(CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...)Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 947 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172810
(CHEMBL199121 | Sodium; 8-hydroxy-8-(3-pentyloxy-na...)Show InChI InChI=1S/C23H32O4/c1-2-3-10-15-27-22-17-19-12-9-8-11-18(19)16-20(22)21(24)13-6-4-5-7-14-23(25)26/h8-9,11-12,16-17,21,24H,2-7,10,13-15H2,1H3,(H,25,26)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 969 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172817
(8-Hydroxy-8-(2-pentyloxy-phenyl)-oct-5-ynoic acid ...)Show InChI InChI=1S/C20H28O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-4,6,8,11,13,15-16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM233180
(Sodium [5-hydroxy-5-(2-pentyloxy-quinolin-3-yl)-pe...)Show InChI InChI=1S/C21H25NO5/c1-2-3-7-13-27-21-17(14-16-9-4-5-10-18(16)22-21)19(23)11-6-8-12-26-15-20(24)25/h4-5,9-10,14,19,23H,2-3,7,11-13,15H2,1H3,(H,24,25)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.93E+3 | -30.3 | n/a | n/a | n/a | n/a | n/a | 8.2 | 4 |
Université de Rennes 1
| Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD... |
J Enzyme Inhib Med Chem 25: 653-72 (2010)
Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50290462
(CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...)Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12 Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonistic potency for NK-2 receptor was determined in vitro, using isolated rabbit pulmonary artery. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM233181
(Sodium [5-hydroxy-5-(2-methoxy-quinolin-3-yl)-pent...)Show InChI InChI=1S/C17H17NO5/c1-22-17-13(10-12-6-2-3-7-14(12)18-17)15(19)8-4-5-9-23-11-16(20)21/h2-3,6-7,10,15,19H,8-9,11H2,1H3,(H,20,21)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.81E+3 | -28.8 | n/a | n/a | n/a | n/a | n/a | 8.2 | 4 |
Université de Rennes 1
| Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD... |
J Enzyme Inhib Med Chem 25: 653-72 (2010)
Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50290461
(CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...)Show SMILES OC1CC(N(C1)C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C39H36F6N8O5/c40-38(41,42)24-13-22(14-25(16-24)39(43,44)45)21-58-37(57)31(15-23-18-46-30-9-3-1-7-27(23)30)47-35(55)33-17-26(54)19-53(33)36(56)29-20-52(32-10-4-2-8-28(29)32)12-6-5-11-34-48-50-51-49-34/h1-4,7-10,13-14,16,18,20,26,31,33,46,54H,5-6,11-12,15,17,19,21H2,(H2,47,48,49,50,51,55)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172822
(CHEMBL198163 | Sodium; 8-hydroxy-8-(3-pentyloxy-na...)Show InChI InChI=1S/C23H28O4/c1-2-3-10-15-27-22-17-19-12-9-8-11-18(19)16-20(22)21(24)13-6-4-5-7-14-23(25)26/h8-9,11-12,16-17,21,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172818
(CHEMBL196261 | Sodium; 8-hydroxy-8-(2-pentyloxy-ph...)Show InChI InChI=1S/C19H30O4/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22/h8-9,11,13,17,20H,2-7,10,12,14-15H2,1H3,(H,21,22)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294695
((S)-2-acetoxy-3-(4-(2-(6-((methoxyimino)(phenyl)me...)Show SMILES CO\N=C(/c1ccccc1)c1ccc2N(CCOc3ccc(C[C@H](OC(C)=O)C(O)=O)cc3)CCC(C)(C)c2c1 |r| Show InChI InChI=1S/C32H36N2O6/c1-22(35)40-29(31(36)37)20-23-10-13-26(14-11-23)39-19-18-34-17-16-32(2,3)27-21-25(12-15-28(27)34)30(33-38-4)24-8-6-5-7-9-24/h5-15,21,29H,16-20H2,1-4H3,(H,36,37)/b33-30+/t29-/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
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294694
((S)-2-(2-ethoxy-2-oxoethylamino)-3-(4-(2-(6-((hydr...)Show SMILES CCOC(=O)CN(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(N=O)c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H37N3O6/c1-4-40-29(36)22-35(31(37)38)21-23-10-13-26(14-11-23)41-19-18-34-17-16-32(2,3)27-20-25(12-15-28(27)34)30(33-39)24-8-6-5-7-9-24/h5-15,20,30H,4,16-19,21-22H2,1-3H3,(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234379
(CHEMBL252995 | dimethyl 2-(4-(2-(6-benzoyl-4,4-dim...)Show SMILES COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=O)c2ccccc2)cc1)C(=O)OC Show InChI InChI=1S/C32H35NO6/c1-32(2)16-17-33(28-15-12-24(21-27(28)32)29(34)23-8-6-5-7-9-23)18-19-39-25-13-10-22(11-14-25)20-26(30(35)37-3)31(36)38-4/h5-15,21,26H,16-20H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234378
(CHEMBL399629 | ethyl 2-ethoxy-3-(4-(2-(6-((methoxy...)Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC |w:3.3| Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234376
(CHEMBL252996 | dimethyl 2-(4-(2-(6-((hydroxyimino)...)Show SMILES COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(N=O)c2ccccc2)cc1)C(=O)OC Show InChI InChI=1S/C32H36N2O6/c1-32(2)16-17-34(28-15-12-24(21-27(28)32)29(33-37)23-8-6-5-7-9-23)18-19-40-25-13-10-22(11-14-25)20-26(30(35)38-3)31(36)39-4/h5-15,21,26,29H,16-20H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234374
((S)-ethyl 2-ethoxy-3-(4-(2-(6-((methoxyimino)(phen...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32-/t31-/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
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172803
((E)-8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-e...)Show InChI InChI=1S/C19H29NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h5,7,10-11,14,17,21H,3-4,6,8-9,12-13,15H2,1-2H3/b7-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172824
(9-Hydroxy-9-(2-pentyloxy-quinolin-3-yl)-nonanoic a...)Show InChI InChI=1S/C24H35NO4/c1-3-4-12-17-29-24-20(18-19-13-10-11-14-21(19)25-24)22(26)15-8-6-5-7-9-16-23(27)28-2/h10-11,13-14,18,22,26H,3-9,12,15-17H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172815
(CHEMBL370374 | Sodium; 8-hydroxy-8-(2-pentyloxy-ph...)Show InChI InChI=1S/C19H26O4/c1-2-3-10-15-23-18-13-9-8-11-16(18)17(20)12-6-4-5-7-14-19(21)22/h8-9,11,13,17,20H,2-3,5,7,10,12,14-15H2,1H3,(H,21,22)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172820
(CHEMBL196260 | Sodium; (E)-8-hydroxy-8-(2-pentylox...)Show InChI InChI=1S/C18H27NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h4,6,9-10,13,16,20H,2-3,5,7-8,11-12,14H2,1H3,(H,21,22)/p-1/b6-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172804
(CHEMBL198034 | Sodium; 8-hydroxy-8-(2-pentyloxy-py...)Show InChI InChI=1S/C18H29NO4/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22/h9-10,13,16,20H,2-8,11-12,14H2,1H3,(H,21,22)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172813
(8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...)Show InChI InChI=1S/C23H29NO4/c1-3-4-11-16-28-23-19(17-18-12-9-10-13-20(18)24-23)21(25)14-7-5-6-8-15-22(26)27-2/h9-10,12-13,17,21,25H,3-4,6,8,11,14-16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049
BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this
Ligand-Target Pair | |
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