Found 812 hits with Last Name = 'valdenaire' and Initial = 'a' 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)) | BDBM50387199
(CHEMBL2048197)Show SMILES COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(=O)c1ccccc1 Show InChI InChI=1S/C24H19FN2O4S/c1-31-21-10-7-16(23(30)15-5-3-2-4-6-15)11-17(21)14-32-24-26-19-12-18(25)8-9-20(19)27(24)13-22(28)29/h2-12H,13-14H2,1H3,(H,28,29) | 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 |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-PGD2 from human CRTh2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387205
(CHEMBL2048189)Show SMILES COc1ccc(cc1CSc1nc2cc(ccc2n1CC(O)=O)[N+]([O-])=O)C(C)=O Show InChI InChI=1S/C19H17N3O6S/c1-11(23)12-3-6-17(28-2)13(7-12)10-29-19-20-15-8-14(22(26)27)4-5-16(15)21(19)9-18(24)25/h3-8H,9-10H2,1-2H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-PGD2 from human CRTh2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387184
(CHEMBL2048187)Show SMILES COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C19H17FN2O4S/c1-11(23)12-3-6-17(26-2)13(7-12)10-27-19-21-15-8-14(20)4-5-16(15)22(19)9-18(24)25/h3-8H,9-10H2,1-2H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-PGD2 from human CRTh2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387187
(CHEMBL2048183)Show InChI InChI=1S/C19H18N2O4S/c1-12(22)13-7-8-17(25-2)14(9-13)11-26-19-20-15-5-3-4-6-16(15)21(19)10-18(23)24/h3-9H,10-11H2,1-2H3,(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 | 2 | 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 expressed in HEK293 cells in presence of 0.5% human serum albumin |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387204
(CHEMBL2048190)Show SMILES COc1ccc(cc1CSc1nc2cc(ccc2n1CC(O)=O)C(F)(F)F)C(C)=O Show InChI InChI=1S/C20H17F3N2O4S/c1-11(26)12-3-6-17(29-2)13(7-12)10-30-19-24-15-8-14(20(21,22)23)4-5-16(15)25(19)9-18(27)28/h3-8H,9-10H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 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 expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387205
(CHEMBL2048189)Show SMILES COc1ccc(cc1CSc1nc2cc(ccc2n1CC(O)=O)[N+]([O-])=O)C(C)=O Show InChI InChI=1S/C19H17N3O6S/c1-11(23)12-3-6-17(28-2)13(7-12)10-29-19-20-15-8-14(22(26)27)4-5-16(15)21(19)9-18(24)25/h3-8H,9-10H2,1-2H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux by FLIPR assay |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387189
(CHEMBL2048204)Show SMILES COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C26H22FN3O4S/c1-34-23-9-6-17(25(33)29-11-10-16-4-2-3-5-21(16)29)12-18(23)15-35-26-28-20-13-19(27)7-8-22(20)30(26)14-24(31)32/h2-9,12-13H,10-11,14-15H2,1H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 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 expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434980
(CHEMBL2385901)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)Cc1cccc2ccccc12 Show InChI InChI=1S/C25H21FN2O3/c26-18-8-9-22-20(13-18)21-14-27(11-10-23(21)28(22)15-25(30)31)24(29)12-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,13H,10-12,14-15H2,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434995
(CHEMBL2386080)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(Cl)ccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H19ClN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434983
(CHEMBL2386075)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccs1 Show InChI InChI=1S/C18H15FN2O3S/c19-11-3-4-14-12(8-11)13-9-20(18(24)16-2-1-7-25-16)6-5-15(13)21(14)10-17(22)23/h1-4,7-8H,5-6,9-10H2,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387201
(CHEMBL2048193)Show SMILES COc1ccc(cc1CSc1nc2cc(C=O)ccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C20H18N2O5S/c1-12(24)14-4-6-18(27-2)15(8-14)11-28-20-21-16-7-13(10-23)3-5-17(16)22(20)9-19(25)26/h3-8,10H,9,11H2,1-2H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | 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 expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387199
(CHEMBL2048197)Show SMILES COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(=O)c1ccccc1 Show InChI InChI=1S/C24H19FN2O4S/c1-31-21-10-7-16(23(30)15-5-3-2-4-6-15)11-17(21)14-32-24-26-19-12-18(25)8-9-20(19)27(24)13-22(28)29/h2-12H,13-14H2,1H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 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 CRTh2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux by FLIPR assay |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387189
(CHEMBL2048204)Show SMILES COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C26H22FN3O4S/c1-34-23-9-6-17(25(33)29-11-10-16-4-2-3-5-21(16)29)12-18(23)15-35-26-28-20-13-19(27)7-8-22(20)30(26)14-24(31)32/h2-9,12-13H,10-11,14-15H2,1H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 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 CRTh2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux by FLIPR assay |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434982
(CHEMBL2385904)Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCc2c(C1)c1ccccc1n2CC(O)=O Show InChI InChI=1S/C28H26N2O3/c1-2-19-7-9-20(10-8-19)21-11-13-22(14-12-21)28(33)29-16-15-26-24(17-29)23-5-3-4-6-25(23)30(26)18-27(31)32/h3-14H,2,15-18H2,1H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387200
(CHEMBL2048194)Show SMILES CCOc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C20H19FN2O4S/c1-3-27-18-7-4-13(12(2)24)8-14(18)11-28-20-22-16-9-15(21)5-6-17(16)23(20)10-19(25)26/h4-9H,3,10-11H2,1-2H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | 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 expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387184
(CHEMBL2048187)Show SMILES COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C19H17FN2O4S/c1-11(23)12-3-6-17(26-2)13(7-12)10-27-19-21-15-8-14(20)4-5-16(15)22(19)9-18(24)25/h3-8H,9-10H2,1-2H3,(H,24,25) | 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
Antagonist activity at human CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by flow... |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387207
(CHEMBL2048186)Show SMILES COc1ccc(cc1CSc1nc2c(F)cccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C19H17FN2O4S/c1-11(23)12-6-7-16(26-2)13(8-12)10-27-19-21-18-14(20)4-3-5-15(18)22(19)9-17(24)25/h3-8H,9-10H2,1-2H3,(H,24,25) | 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 expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387204
(CHEMBL2048190)Show SMILES COc1ccc(cc1CSc1nc2cc(ccc2n1CC(O)=O)C(F)(F)F)C(C)=O Show InChI InChI=1S/C20H17F3N2O4S/c1-11(26)12-3-6-17(29-2)13(7-12)10-30-19-24-15-8-14(20(21,22)23)4-5-16(15)25(19)9-18(27)28/h3-8H,9-10H2,1-2H3,(H,27,28) | 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
Antagonist activity at human CRTh2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux by FLIPR assay |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434992
(CHEMBL2386066)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(Cl)ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C20H17ClN2O3/c21-14-6-7-17-15(10-14)16-11-22(20(26)13-4-2-1-3-5-13)9-8-18(16)23(17)12-19(24)25/h1-7,10H,8-9,11-12H2,(H,24,25) | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
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)) | BDBM50387190
(CHEMBL2048195)Show SMILES CCCOc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C21H21FN2O4S/c1-3-8-28-19-7-4-14(13(2)25)9-15(19)12-29-21-23-17-10-16(22)5-6-18(17)24(21)11-20(26)27/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,26,27) | 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 expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434981
(CHEMBL2385902)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C23H20FN3O3/c24-15-5-6-20-17(10-15)18-12-26(8-7-21(18)27(20)13-23(29)30)22(28)9-14-11-25-19-4-2-1-3-16(14)19/h1-6,10-11,25H,7-9,12-13H2,(H,29,30) | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434991
(CHEMBL2385898)Show SMILES Cc1ccc2n(CC(O)=O)c3CCN(Cc3c2c1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H22N2O3/c1-16-9-10-22-20(13-16)21-14-26(12-11-23(21)27(22)15-24(28)29)25(30)19-8-4-6-17-5-2-3-7-18(17)19/h2-10,13H,11-12,14-15H2,1H3,(H,28,29) | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387200
(CHEMBL2048194)Show SMILES CCOc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C20H19FN2O4S/c1-3-27-18-7-4-13(12(2)24)8-14(18)11-28-20-22-16-9-15(21)5-6-17(16)23(20)10-19(25)26/h4-9H,3,10-11H2,1-2H3,(H,25,26) | 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
Antagonist activity at human CRTh2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux by FLIPR assay |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387184
(CHEMBL2048187)Show SMILES COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C19H17FN2O4S/c1-11(23)12-3-6-17(26-2)13(7-12)10-27-19-21-15-8-14(20)4-5-16(15)22(19)9-18(24)25/h3-8H,9-10H2,1-2H3,(H,24,25) | 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
Antagonist activity at human CRTh2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux by FLIPR assay |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434990
(ACT-129968 | SETIPIPRANT)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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 |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434989
(CHEMBL2386070)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C20H17FN2O3/c21-14-6-7-17-15(10-14)16-11-22(20(26)13-4-2-1-3-5-13)9-8-18(16)23(17)12-19(24)25/h1-7,10H,8-9,11-12H2,(H,24,25) | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434982
(CHEMBL2385904)Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCc2c(C1)c1ccccc1n2CC(O)=O Show InChI InChI=1S/C28H26N2O3/c1-2-19-7-9-20(10-8-19)21-11-13-22(14-12-21)28(33)29-16-15-26-24(17-29)23-5-3-4-6-25(23)30(26)18-27(31)32/h3-14H,2,15-18H2,1H3,(H,31,32) | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis in... |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
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)) | 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)) | 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)) | BDBM50387189
(CHEMBL2048204)Show SMILES COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C26H22FN3O4S/c1-34-23-9-6-17(25(33)29-11-10-16-4-2-3-5-21(16)29)12-18(23)15-35-26-28-20-13-19(27)7-8-22(20)30(26)14-24(31)32/h2-9,12-13H,10-11,14-15H2,1H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | 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 expressed in HEK293 cells in presence of 0.5% human serum albumin |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387187
(CHEMBL2048183)Show InChI InChI=1S/C19H18N2O4S/c1-12(22)13-7-8-17(25-2)14(9-13)11-26-19-20-15-5-3-4-6-16(15)21(19)10-18(23)24/h3-9H,10-11H2,1-2H3,(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 | 8 | 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 expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50397653
(CHEMBL2181810)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(ccc12)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C21H17F3N2O3/c22-21(23,24)14-6-7-17-15(10-14)16-11-25(20(29)13-4-2-1-3-5-13)9-8-18(16)26(17)12-19(27)28/h1-7,10H,8-9,11-12H2,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434988
(CHEMBL2386077)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H16ClFN2O3/c21-13-3-1-2-12(8-13)20(27)23-7-6-18-16(10-23)15-9-14(22)4-5-17(15)24(18)11-19(25)26/h1-5,8-9H,6-7,10-11H2,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434987
(CHEMBL2386079)Show SMILES OC(=O)Cn1c2CCN(Cc2c2ccccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H20N2O3/c27-23(28)15-26-21-11-4-3-9-18(21)20-14-25(13-12-22(20)26)24(29)19-10-5-7-16-6-1-2-8-17(16)19/h1-11H,12-15H2,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387201
(CHEMBL2048193)Show SMILES COc1ccc(cc1CSc1nc2cc(C=O)ccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C20H18N2O5S/c1-12(24)14-4-6-18(27-2)15(8-14)11-28-20-21-16-7-13(10-23)3-5-17(16)22(20)9-19(25)26/h3-8,10H,9,11H2,1-2H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux by FLIPR assay |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387191
(CHEMBL2048196)Show SMILES CCCCOc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C22H23FN2O4S/c1-3-4-9-29-20-8-5-15(14(2)26)10-16(20)13-30-22-24-18-11-17(23)6-7-19(18)25(22)12-21(27)28/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | 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 expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387190
(CHEMBL2048195)Show SMILES CCCOc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C21H21FN2O4S/c1-3-8-28-19-7-4-14(13(2)25)9-15(19)12-29-21-23-17-10-16(22)5-6-18(17)24(21)11-20(26)27/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux by FLIPR assay |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
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)) | 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)) | 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)) | BDBM50434985
(CHEMBL2385903)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)CCc1cccc2ccccc12 Show InChI InChI=1S/C26H23FN2O3/c27-19-9-10-23-21(14-19)22-15-28(13-12-24(22)29(23)16-26(31)32)25(30)11-8-18-6-3-5-17-4-1-2-7-20(17)18/h1-7,9-10,14H,8,11-13,15-16H2,(H,31,32) | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
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)) | BDBM50387207
(CHEMBL2048186)Show SMILES COc1ccc(cc1CSc1nc2c(F)cccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C19H17FN2O4S/c1-11(23)12-6-7-16(26-2)13(8-12)10-27-19-21-18-14(20)4-3-5-15(18)22(19)9-17(24)25/h3-8H,9-10H2,1-2H3,(H,24,25) | 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
Antagonist activity at human CRTh2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux by FLIPR assay |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434986
(CHEMBL2386076)Show SMILES OC(=O)Cn1c2CCN(Cc2c2ccccc12)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H17ClN2O3/c21-14-5-3-4-13(10-14)20(26)22-9-8-18-16(11-22)15-6-1-2-7-17(15)23(18)12-19(24)25/h1-7,10H,8-9,11-12H2,(H,24,25) | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
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)) | BDBM50434984
(CHEMBL2386069)Show SMILES Cc1ccc2n(CC(O)=O)c3CCN(Cc3c2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H20N2O3/c1-14-7-8-18-16(11-14)17-12-22(21(26)15-5-3-2-4-6-15)10-9-19(17)23(18)13-20(24)25/h2-8,11H,9-10,12-13H2,1H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50434978
(CHEMBL2385899)Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(ccc12)C(F)(F)F)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H19F3N2O3/c26-25(27,28)16-8-9-21-19(12-16)20-13-29(11-10-22(20)30(21)14-23(31)32)24(33)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | 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 recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 4899-911 (2013)
Article DOI: 10.1021/jm400122f
BindingDB Entry DOI: 10.7270/Q2ZP47HB |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50387191
(CHEMBL2048196)Show SMILES CCCCOc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O Show InChI InChI=1S/C22H23FN2O4S/c1-3-4-9-29-20-8-5-15(14(2)26)10-16(20)13-30-22-24-18-11-17(23)6-7-19(18)25(22)12-21(27)28/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,27,28) | 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 |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux by FLIPR assay |
Bioorg Med Chem Lett 22: 4660-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH |
More data for this
Ligand-Target Pair | |
Search and Browse
