Found 49 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)) | BDBM50435091
(CHEMBL2391524)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2cccc(Cl)c12)\C#N)c1ccccc1 Show InChI InChI=1S/C21H16ClN3O3/c1-24(16-6-3-2-4-7-16)21(28)14(11-23)10-15-12-25(13-19(26)27)18-9-5-8-17(22)20(15)18/h2-10,12H,13H2,1H3,(H,26,27)/b14-10+ | 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 |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435096
(CHEMBL2391519)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N2Cc3ccccc3Cc3ccccc23)c2ccccc12 Show InChI InChI=1S/C28H21N3O3/c29-15-22(14-23-16-30(18-27(32)33)26-12-6-4-10-24(23)26)28(34)31-17-21-9-2-1-7-19(21)13-20-8-3-5-11-25(20)31/h1-12,14,16H,13,17-18H2,(H,32,33)/b22-14+ | 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 |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435086
(CHEMBL2391528)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2ccc(C)cc12)\C#N)c1ccccc1 Show InChI InChI=1S/C22H19N3O3/c1-15-8-9-20-19(10-15)17(13-25(20)14-21(26)27)11-16(12-23)22(28)24(2)18-6-4-3-5-7-18/h3-11,13H,14H2,1-2H3,(H,26,27)/b16-11+ | 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 |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435090
(CHEMBL2391525)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2ccc(Cl)cc12)\C#N)c1ccccc1 Show InChI InChI=1S/C21H16ClN3O3/c1-24(17-5-3-2-4-6-17)21(28)14(11-23)9-15-12-25(13-20(26)27)19-8-7-16(22)10-18(15)19/h2-10,12H,13H2,1H3,(H,26,27)/b14-9+ | 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 |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435080
(CHEMBL2391518)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H19N3O3/c24-13-17(23(29)26-11-5-7-16-6-1-3-9-20(16)26)12-18-14-25(15-22(27)28)21-10-4-2-8-19(18)21/h1-4,6,8-10,12,14H,5,7,11,15H2,(H,27,28)/b17-12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor in presence of human serum albumin |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435087
(CHEMBL2390962)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2cccc(C)c12)\C#N)c1ccccc1 Show InChI InChI=1S/C22H19N3O3/c1-15-7-6-10-19-21(15)17(13-25(19)14-20(26)27)11-16(12-23)22(28)24(2)18-8-4-3-5-9-18/h3-11,13H,14H2,1-2H3,(H,26,27)/b16-11+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435095
(CHEMBL2391520)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2cccc(F)c12)\C#N)c1ccccc1 Show InChI InChI=1S/C21H16FN3O3/c1-24(16-6-3-2-4-7-16)21(28)14(11-23)10-15-12-25(13-19(26)27)18-9-5-8-17(22)20(15)18/h2-10,12H,13H2,1H3,(H,26,27)/b14-10+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435098
(CHEMBL2391516)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N(CCc2ccccc2)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C28H23N3O3/c29-18-22(17-23-19-30(20-27(32)33)26-14-8-7-13-25(23)26)28(34)31(24-11-5-2-6-12-24)16-15-21-9-3-1-4-10-21/h1-14,17,19H,15-16,20H2,(H,32,33)/b22-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435094
(CHEMBL2391521)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2ccc(F)cc12)\C#N)c1ccccc1 Show InChI InChI=1S/C21H16FN3O3/c1-24(17-5-3-2-4-6-17)21(28)14(11-23)9-15-12-25(13-20(26)27)19-8-7-16(22)10-18(15)19/h2-10,12H,13H2,1H3,(H,26,27)/b14-9+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435080
(CHEMBL2391518)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H19N3O3/c24-13-17(23(29)26-11-5-7-16-6-1-3-9-20(16)26)12-18-14-25(15-22(27)28)21-10-4-2-8-19(18)21/h1-4,6,8-10,12,14H,5,7,11,15H2,(H,27,28)/b17-12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434979
(CHEMBL2385906)Show InChI InChI=1S/C20H18N2O3/c23-19(24)13-22-17-9-5-4-8-15(17)16-12-21(11-10-18(16)22)20(25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor in presence of human serum albumin |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435102
(CHEMBL2391512)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2ccccc12)\C#N)c1ccccc1 Show InChI InChI=1S/C21H17N3O3/c1-23(17-7-3-2-4-8-17)21(27)15(12-22)11-16-13-24(14-20(25)26)19-10-6-5-9-18(16)19/h2-11,13H,14H2,1H3,(H,25,26)/b15-11+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434979
(CHEMBL2385906)Show InChI InChI=1S/C20H18N2O3/c23-19(24)13-22-17-9-5-4-8-15(17)16-12-21(11-10-18(16)22)20(25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435101
(CHEMBL2391513)Show SMILES CCCCN(C(=O)C(=C\c1cn(CC(O)=O)c2ccccc12)\C#N)c1ccccc1 Show InChI InChI=1S/C24H23N3O3/c1-2-3-13-27(20-9-5-4-6-10-20)24(30)18(15-25)14-19-16-26(17-23(28)29)22-12-8-7-11-21(19)22/h4-12,14,16H,2-3,13,17H2,1H3,(H,28,29)/b18-14+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435099
(CHEMBL2391515)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N(Cc2ccccc2)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H21N3O3/c28-16-21(15-22-18-29(19-26(31)32)25-14-8-7-13-24(22)25)27(33)30(23-11-5-2-6-12-23)17-20-9-3-1-4-10-20/h1-15,18H,17,19H2,(H,31,32)/b21-15+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435100
(CHEMBL2391514)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N(C2CCCCC2)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H25N3O3/c27-16-19(15-20-17-28(18-25(30)31)24-14-8-7-13-23(20)24)26(32)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1,3-4,7-10,13-15,17,22H,2,5-6,11-12,18H2,(H,30,31)/b19-15+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435093
(CHEMBL2391522)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2cc(F)ccc12)\C#N)c1ccccc1 Show InChI InChI=1S/C21H16FN3O3/c1-24(17-5-3-2-4-6-17)21(28)14(11-23)9-15-12-25(13-20(26)27)19-10-16(22)7-8-18(15)19/h2-10,12H,13H2,1H3,(H,26,27)/b14-9+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435088
(CHEMBL2391527)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2c(Cl)cccc12)\C#N)c1ccccc1 Show InChI InChI=1S/C21H16ClN3O3/c1-24(16-6-3-2-4-7-16)21(28)14(11-23)10-15-12-25(13-19(26)27)20-17(15)8-5-9-18(20)22/h2-10,12H,13H2,1H3,(H,26,27)/b14-10+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435080
(CHEMBL2391518)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H19N3O3/c24-13-17(23(29)26-11-5-7-16-6-1-3-9-20(16)26)12-18-14-25(15-22(27)28)21-10-4-2-8-19(18)21/h1-4,6,8-10,12,14H,5,7,11,15H2,(H,27,28)/b17-12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at PGD2-induced human CRTh2 receptor activation expressed in HEK293 cells assessed as intracellular Ca2+ liberation by FLIPR assa... |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435097
(CHEMBL2391517)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N2CCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C22H17N3O3/c23-12-16(22(28)25-10-9-15-5-1-3-7-19(15)25)11-17-13-24(14-21(26)27)20-8-4-2-6-18(17)20/h1-8,11,13H,9-10,14H2,(H,26,27)/b16-11+ | PDB
Reactome pathway
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435092
(CHEMBL2391523)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2c(F)cccc12)\C#N)c1ccccc1 Show InChI InChI=1S/C21H16FN3O3/c1-24(16-6-3-2-4-7-16)21(28)14(11-23)10-15-12-25(13-19(26)27)20-17(15)8-5-9-18(20)22/h2-10,12H,13H2,1H3,(H,26,27)/b14-10+ | PDB
Reactome pathway
KEGG
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434979
(CHEMBL2385906)Show InChI InChI=1S/C20H18N2O3/c23-19(24)13-22-17-9-5-4-8-15(17)16-12-21(11-10-18(16)22)20(25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24) | PDB
Reactome pathway
KEGG
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UniChem
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435084
(CHEMBL2391530)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2c(C)cccc12)\C#N)c1ccccc1 Show InChI InChI=1S/C22H19N3O3/c1-15-7-6-10-19-17(13-25(21(15)19)14-20(26)27)11-16(12-23)22(28)24(2)18-8-4-3-5-9-18/h3-11,13H,14H2,1-2H3,(H,26,27)/b16-11+ | PDB
Reactome pathway
KEGG
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435082
(CHEMBL2391532)Show InChI InChI=1S/C21H20N2O3/c24-20(25)13-23-18-9-5-4-8-16(18)17-12-14(10-11-19(17)23)21(26)22-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,26)(H,24,25) | PDB
Reactome pathway
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UniChem
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| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435080
(CHEMBL2391518)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H19N3O3/c24-13-17(23(29)26-11-5-7-16-6-1-3-9-20(16)26)12-18-14-25(15-22(27)28)21-10-4-2-8-19(18)21/h1-4,6,8-10,12,14H,5,7,11,15H2,(H,27,28)/b17-12+ | PDB
Reactome pathway
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434979
(CHEMBL2385906)Show InChI InChI=1S/C20H18N2O3/c23-19(24)13-22-17-9-5-4-8-15(17)16-12-21(11-10-18(16)22)20(25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24) | PDB
Reactome pathway
KEGG
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UniChem
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at PGD2-induced human CRTh2 receptor activation expressed in HEK293 cells assessed as intracellular Ca2+ liberation by FLIPR assa... |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435112
(CHEMBL2391534)Show InChI InChI=1S/C21H20N2O3/c24-20(12-15-6-2-1-3-7-15)22-11-10-19-17(13-22)16-8-4-5-9-18(16)23(19)14-21(25)26/h1-9H,10-14H2,(H,25,26) | PDB
Reactome pathway
KEGG
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435111
(CHEMBL2391536)Show InChI InChI=1S/C19H24N2O3/c1-2-3-4-9-18(22)20-11-10-17-15(12-20)14-7-5-6-8-16(14)21(17)13-19(23)24/h5-8H,2-4,9-13H2,1H3,(H,23,24) | PDB
Reactome pathway
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UniChem
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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435089
(CHEMBL2391526)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2cc(Cl)ccc12)\C#N)c1ccccc1 Show InChI InChI=1S/C21H16ClN3O3/c1-24(17-5-3-2-4-6-17)21(28)14(11-23)9-15-12-25(13-20(26)27)19-10-16(22)7-8-18(15)19/h2-10,12H,13H2,1H3,(H,26,27)/b14-9+ | PDB
Reactome pathway
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435081
(CHEMBL2391533)Show InChI InChI=1S/C20H19N3O3/c24-19(25)13-23-17-9-5-4-8-15(17)16-12-22(11-10-18(16)23)20(26)21-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,26)(H,24,25) | PDB
Reactome pathway
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UniChem
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435108
(CHEMBL2391506)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc12 Show InChI InChI=1S/C20H15N3O3/c21-11-14(20(26)22-16-6-2-1-3-7-16)10-15-12-23(13-19(24)25)18-9-5-4-8-17(15)18/h1-10,12H,13H2,(H,22,26)(H,24,25)/b14-10+ | PDB
Reactome pathway
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435083
(CHEMBL2391531)Show InChI InChI=1S/C21H16N2O3/c24-20(25)13-23-18-9-5-4-8-16(18)17-12-14(10-11-19(17)23)21(26)22-15-6-2-1-3-7-15/h1-12H,13H2,(H,22,26)(H,24,25) | PDB
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435109
(CHEMBL2391505)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc12 Show InChI InChI=1S/C20H14BrN3O3/c21-15-4-3-5-16(9-15)23-20(27)13(10-22)8-14-11-24(12-19(25)26)18-7-2-1-6-17(14)18/h1-9,11H,12H2,(H,23,27)(H,25,26)/b13-8+ | PDB
Reactome pathway
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435105
(CHEMBL2391509)Show SMILES C\C(=C(\C#N)C(=O)Nc1ccccc1)c1cn(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C21H17N3O3/c1-14(17(11-22)21(27)23-15-7-3-2-4-8-15)18-12-24(13-20(25)26)19-10-6-5-9-16(18)19/h2-10,12H,13H2,1H3,(H,23,27)(H,25,26)/b17-14+ | PDB
Reactome pathway
KEGG
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PC sid
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PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435104
(CHEMBL2391510)Show SMILES OC(=O)Cn1cc(\C=C(/Cl)C(=O)Nc2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H15ClN2O3/c20-16(19(25)21-14-6-2-1-3-7-14)10-13-11-22(12-18(23)24)17-9-5-4-8-15(13)17/h1-11H,12H2,(H,21,25)(H,23,24)/b16-10- | PDB
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435109
(CHEMBL2391505)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc12 Show InChI InChI=1S/C20H14BrN3O3/c21-15-4-3-5-16(9-15)23-20(27)13(10-22)8-14-11-24(12-19(25)26)18-7-2-1-6-17(14)18/h1-9,11H,12H2,(H,23,27)(H,25,26)/b13-8+ | PDB
Reactome pathway
KEGG
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at PGD2-induced human CRTh2 receptor activation expressed in HEK293 cells assessed as intracellular Ca2+ liberation by FLIPR assa... |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435085
(CHEMBL2391529)Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2cc(C)ccc12)\C#N)c1ccccc1 Show InChI InChI=1S/C22H19N3O3/c1-15-8-9-19-17(13-25(14-21(26)27)20(19)10-15)11-16(12-23)22(28)24(2)18-6-4-3-5-7-18/h3-11,13H,14H2,1-2H3,(H,26,27)/b16-11+ | PDB
Reactome pathway
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PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435110
(CHEMBL2391535)Show InChI InChI=1S/C15H16N2O3/c1-10(18)16-7-6-14-12(8-16)11-4-2-3-5-13(11)17(14)9-15(19)20/h2-5H,6-9H2,1H3,(H,19,20) | PDB
Reactome pathway
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| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435106
(CHEMBL2391508)Show SMILES OC(=O)CCCn1cc(\C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc12 Show InChI InChI=1S/C22H19N3O3/c23-14-16(22(28)24-18-7-2-1-3-8-18)13-17-15-25(12-6-11-21(26)27)20-10-5-4-9-19(17)20/h1-5,7-10,13,15H,6,11-12H2,(H,24,28)(H,26,27)/b16-13+ | PDB
Reactome pathway
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| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435103
(CHEMBL2391511)Show InChI InChI=1S/C19H16N2O3/c22-18(20-15-6-2-1-3-7-15)11-10-14-12-21(13-19(23)24)17-9-5-4-8-16(14)17/h1-12H,13H2,(H,20,22)(H,23,24)/b11-10+ | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50435107
(CHEMBL2391507)Show SMILES OC(=O)CCn1cc(\C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc12 Show InChI InChI=1S/C21H17N3O3/c22-13-15(21(27)23-17-6-2-1-3-7-17)12-16-14-24(11-10-20(25)26)19-9-5-4-8-18(16)19/h1-9,12,14H,10-11H2,(H,23,27)(H,25,26)/b15-12+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50435080
(CHEMBL2391518)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H19N3O3/c24-13-17(23(29)26-11-5-7-16-6-1-3-9-20(16)26)12-18-14-25(15-22(27)28)21-10-4-2-8-19(18)21/h1-4,6,8-10,12,14H,5,7,11,15H2,(H,27,28)/b17-12+ | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PGD2 binding to human DP1 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50435080
(CHEMBL2391518)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H19N3O3/c24-13-17(23(29)26-11-5-7-16-6-1-3-9-20(16)26)12-18-14-25(15-22(27)28)21-10-4-2-8-19(18)21/h1-4,6,8-10,12,14H,5,7,11,15H2,(H,27,28)/b17-12+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50434979
(CHEMBL2385906)Show InChI InChI=1S/C20H18N2O3/c23-19(24)13-22-17-9-5-4-8-15(17)16-12-21(11-10-18(16)22)20(25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PGD2 binding to human DP1 receptor |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435080
(CHEMBL2391518)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H19N3O3/c24-13-17(23(29)26-11-5-7-16-6-1-3-9-20(16)26)12-18-14-25(15-22(27)28)21-10-4-2-8-19(18)21/h1-4,6,8-10,12,14H,5,7,11,15H2,(H,27,28)/b17-12+ | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434979
(CHEMBL2385906)Show InChI InChI=1S/C20H18N2O3/c23-19(24)13-22-17-9-5-4-8-15(17)16-12-21(11-10-18(16)22)20(25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24) | 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 | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50435080
(CHEMBL2391518)Show SMILES OC(=O)Cn1cc(\C=C(/C#N)C(=O)N2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H19N3O3/c24-13-17(23(29)26-11-5-7-16-6-1-3-9-20(16)26)12-18-14-25(15-22(27)28)21-10-4-2-8-19(18)21/h1-4,6,8-10,12,14H,5,7,11,15H2,(H,27,28)/b17-12+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TP2 receptor assessed as inhibition of U46619-induced Ca2+ mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50434979
(CHEMBL2385906)Show InChI InChI=1S/C20H18N2O3/c23-19(24)13-22-17-9-5-4-8-15(17)16-12-21(11-10-18(16)22)20(25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human TP2 receptor assessed as inhibition of U46619-induced Ca2+ mobilization by FLIPR assay |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434979
(CHEMBL2385906)Show InChI InChI=1S/C20H18N2O3/c23-19(24)13-22-17-9-5-4-8-15(17)16-12-21(11-10-18(16)22)20(25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24) | 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 |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 944-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.050
BindingDB Entry DOI: 10.7270/Q22F7PTD |
More data for this
Ligand-Target Pair | |
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