Found 42 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335958
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...)Show SMILES CCN(Cc1cc(F)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C26H26FNO5/c1-3-28(26(31)33-17-18-7-5-4-6-8-18)16-20-15-21(27)10-11-22(20)23-13-19(14-25(29)30)9-12-24(23)32-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change after 4 hrs by flow cytometry |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 by time-dependent inhibition assay |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335957
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...)Show SMILES CCN(Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C32H31ClN2O7S/c1-3-35(32(38)42-21-22-7-5-4-6-8-22)20-24-19-26(34-43(39,40)27-13-10-25(33)11-14-27)12-15-28(24)29-17-23(18-31(36)37)9-16-30(29)41-2/h4-17,19,34H,3,18,20-21H2,1-2H3,(H,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335951
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-m...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1cnn(C)c1)C(=O)C1CC1 Show InChI InChI=1S/C26H29N3O4/c1-4-29(26(32)18-6-7-18)16-20-13-19(21-14-27-28(2)15-21)8-9-22(20)23-11-17(12-25(30)31)5-10-24(23)33-3/h5,8-11,13-15,18H,4,6-7,12,16H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change by flow cytometry |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335959
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-6-...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)S(C)(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H29NO7S/c1-4-28(27(31)35-18-19-8-6-5-7-9-19)17-21-16-22(36(3,32)33)11-12-23(21)24-14-20(15-26(29)30)10-13-25(24)34-2/h5-14,16H,4,15,17-18H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change by flow cytometry |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335959
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-6-...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)S(C)(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H29NO7S/c1-4-28(27(31)35-18-19-8-6-5-7-9-19)17-21-16-22(36(3,32)33)11-12-23(21)24-14-20(15-26(29)30)10-13-25(24)34-2/h5-14,16H,4,15,17-18H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335952
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-m...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1cnc2ccccc2c1)C(=O)C1CC1 Show InChI InChI=1S/C31H30N2O4/c1-3-33(31(36)21-9-10-21)19-25-16-22(24-17-23-6-4-5-7-28(23)32-18-24)11-12-26(25)27-14-20(15-30(34)35)8-13-29(27)37-2/h4-8,11-14,16-18,21H,3,9-10,15,19H2,1-2H3,(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335956
(2-(4'-acetamido-2'-(((benzyloxycarbonyl)(ethyl)ami...)Show SMILES CCN(Cc1cc(NC(C)=O)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C28H30N2O6/c1-4-30(28(34)36-18-20-8-6-5-7-9-20)17-22-16-23(29-19(2)31)11-12-24(22)25-14-21(15-27(32)33)10-13-26(25)35-3/h5-14,16H,4,15,17-18H2,1-3H3,(H,29,31)(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335961
(2-(((benzyloxycarbonyl)(ethyl)amino)methyl)-5'-(ca...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H27NO7/c1-3-28(27(33)35-17-18-7-5-4-6-8-18)16-21-15-20(26(31)32)10-11-22(21)23-13-19(14-25(29)30)9-12-24(23)34-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335953
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-4'-...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1ccc(F)cn1)C(=O)C1CC1 Show InChI InChI=1S/C27H27FN2O4/c1-3-30(27(33)18-5-6-18)16-20-14-19(24-10-8-21(28)15-29-24)7-9-22(20)23-12-17(13-26(31)32)4-11-25(23)34-2/h4,7-12,14-15,18H,3,5-6,13,16H2,1-2H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335958
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...)Show SMILES CCN(Cc1cc(F)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C26H26FNO5/c1-3-28(26(31)33-17-18-7-5-4-6-8-18)16-20-15-21(27)10-11-22(20)23-13-19(14-25(29)30)9-12-24(23)32-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335952
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-m...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1cnc2ccccc2c1)C(=O)C1CC1 Show InChI InChI=1S/C31H30N2O4/c1-3-33(31(36)21-9-10-21)19-25-16-22(24-17-23-6-4-5-7-28(23)32-18-24)11-12-26(25)27-14-20(15-30(34)35)8-13-29(27)37-2/h4-8,11-14,16-18,21H,3,9-10,15,19H2,1-2H3,(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change by flow cytometry |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335960
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(C)(C)O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C29H33NO6/c1-5-30(28(33)36-19-20-9-7-6-8-10-20)18-22-17-23(29(2,3)34)12-13-24(22)25-15-21(16-27(31)32)11-14-26(25)35-4/h6-15,17,34H,5,16,18-19H2,1-4H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335955
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-m...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1ncc(OC)cn1)C(=O)C1CC1 Show InChI InChI=1S/C27H29N3O5/c1-4-30(27(33)18-6-7-18)16-20-13-19(26-28-14-21(34-2)15-29-26)8-9-22(20)23-11-17(12-25(31)32)5-10-24(23)35-3/h5,8-11,13-15,18H,4,6-7,12,16H2,1-3H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change by flow cytometry |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335953
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-4'-...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1ccc(F)cn1)C(=O)C1CC1 Show InChI InChI=1S/C27H27FN2O4/c1-3-30(27(33)18-5-6-18)16-20-14-19(24-10-8-21(28)15-29-24)7-9-22(20)23-12-17(13-26(31)32)4-11-25(23)34-2/h4,7-12,14-15,18H,3,5-6,13,16H2,1-2H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change by flow cytometry |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335960
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(C)(C)O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C29H33NO6/c1-5-30(28(33)36-19-20-9-7-6-8-10-20)18-22-17-23(29(2,3)34)12-13-24(22)25-15-21(16-27(31)32)11-14-26(25)35-4/h6-15,17,34H,5,16,18-19H2,1-4H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335955
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-m...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1ncc(OC)cn1)C(=O)C1CC1 Show InChI InChI=1S/C27H29N3O5/c1-4-30(27(33)18-6-7-18)16-20-13-19(26-28-14-21(34-2)15-29-26)8-9-22(20)23-11-17(12-25(31)32)5-10-24(23)35-3/h5,8-11,13-15,18H,4,6-7,12,16H2,1-3H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335951
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-m...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1cnn(C)c1)C(=O)C1CC1 Show InChI InChI=1S/C26H29N3O4/c1-4-29(26(32)18-6-7-18)16-20-13-19(21-14-27-28(2)15-21)8-9-22(20)23-11-17(12-25(30)31)5-10-24(23)33-3/h5,8-11,13-15,18H,4,6-7,12,16H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335951
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-m...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1cnn(C)c1)C(=O)C1CC1 Show InChI InChI=1S/C26H29N3O4/c1-4-29(26(32)18-6-7-18)16-20-13-19(21-14-27-28(2)15-21)8-9-22(20)23-11-17(12-25(30)31)5-10-24(23)33-3/h5,8-11,13-15,18H,4,6-7,12,16H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335952
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-m...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1cnc2ccccc2c1)C(=O)C1CC1 Show InChI InChI=1S/C31H30N2O4/c1-3-33(31(36)21-9-10-21)19-25-16-22(24-17-23-6-4-5-7-28(23)32-18-24)11-12-26(25)27-14-20(15-30(34)35)8-13-29(27)37-2/h4-8,11-14,16-18,21H,3,9-10,15,19H2,1-2H3,(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335956
(2-(4'-acetamido-2'-(((benzyloxycarbonyl)(ethyl)ami...)Show SMILES CCN(Cc1cc(NC(C)=O)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C28H30N2O6/c1-4-30(28(34)36-18-20-8-6-5-7-9-20)17-22-16-23(29-19(2)31)11-12-24(22)25-14-21(15-27(32)33)10-13-26(25)35-3/h5-14,16H,4,15,17-18H2,1-3H3,(H,29,31)(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335953
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-4'-...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1ccc(F)cn1)C(=O)C1CC1 Show InChI InChI=1S/C27H27FN2O4/c1-3-30(27(33)18-5-6-18)16-20-14-19(24-10-8-21(28)15-29-24)7-9-22(20)23-12-17(13-26(31)32)4-11-25(23)34-2/h4,7-12,14-15,18H,3,5-6,13,16H2,1-2H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335957
(2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...)Show SMILES CCN(Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C32H31ClN2O7S/c1-3-35(32(38)42-21-22-7-5-4-6-8-22)20-24-19-26(34-43(39,40)27-13-10-25(33)11-14-27)12-15-28(24)29-17-23(18-31(36)37)9-16-30(29)41-2/h4-17,19,34H,3,18,20-21H2,1-2H3,(H,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335955
(2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-m...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1ncc(OC)cn1)C(=O)C1CC1 Show InChI InChI=1S/C27H29N3O5/c1-4-30(27(33)18-6-7-18)16-20-13-19(26-28-14-21(34-2)15-29-26)8-9-22(20)23-11-17(12-25(31)32)5-10-24(23)35-3/h5,8-11,13-15,18H,4,6-7,12,16H2,1-3H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50335961
(2-(((benzyloxycarbonyl)(ethyl)amino)methyl)-5'-(ca...)Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H27NO7/c1-3-28(27(33)35-17-18-7-5-4-6-8-18)16-21-15-20(26(31)32)10-11-22(21)23-13-19(14-25(29)30)9-12-24(23)34-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from DP1 in human platelet membrane |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Inhibition of COX-1 |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]SQ-29548 from TP receptor in human platelet membrane |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/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
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Inhibition of COX-2 |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Displacement of [3H]iloprost from IP receptor in human 293 cell membrane |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Inhibition of PPAR alpha |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Inhibition of PPAR beta |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50335954
(CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...)Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
USA.
Curated by ChEMBL
| Assay Description
Inhibition of PPAR gamma |
Bioorg Med Chem Lett 21: 1036-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.016
BindingDB Entry DOI: 10.7270/Q27P8ZNT |
More data for this
Ligand-Target Pair | |
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