Found 948 hits with Last Name = 'sandham' and Initial = 'da' 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 |
|---|
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421329
(CHEMBL2088201)Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421329
(CHEMBL2088201)Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233524
(CHEMBL3981414)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1Cl)S(C)(=O)=O Show InChI InChI=1S/C18H17ClN2O4S/c1-11-15(9-17(22)23)14-4-3-7-20-18(14)21(11)10-12-5-6-13(8-16(12)19)26(2,24)25/h3-8H,9-10H2,1-2H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)Show SMILES Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2ccccc2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C22H28N2O5S2/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-11-23-12-16-31(27,28)15-4-13-29-14-10-17-5-2-1-3-6-17/h1-3,5-8,23,25H,4,9-16H2,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233520
(Fevipiprant | NVP-QAW039 | QAW039)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26) | PDB
Reactome pathway
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MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233523
(CHEMBL3931906)Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(Cl)c1 Show InChI InChI=1S/C19H19ClN2O4S/c1-3-27(25,26)14-7-6-13(17(20)9-14)11-22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10-11H2,1-2H3,(H,23,24) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233522
(CHEMBL3932668)Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(c1)C(F)(F)F Show InChI InChI=1S/C20H19F3N2O4S/c1-3-30(28,29)14-7-6-13(17(9-14)20(21,22)23)11-25-12(2)16(10-18(26)27)15-5-4-8-24-19(15)25/h4-9H,3,10-11H2,1-2H3,(H,26,27) | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Mus musculus (mouse)) | BDBM50442299
(CHEMBL2442750)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
PC cid
PC sid
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-prostaglandin D2 from mouse CRTh2 receptor expressed in CHO cells after 2 hrs |
Bioorg Med Chem 21: 6582-91 (2013)
Article DOI: 10.1016/j.bmc.2013.08.025
BindingDB Entry DOI: 10.7270/Q2QR4ZKF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318159
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...)Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421327
(CHEMBL2088199)Show SMILES CCCCc1ccc2CC(Cc2c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-2-3-4-15-5-6-16-12-18(13-17(16)11-15)25-14-22(28)19-7-9-21(27)24-20(19)8-10-23(29)26-24/h5-11,18,22,25,27-28H,2-4,12-14H2,1H3,(H,26,29)/t18?,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233525
(CHEMBL4094939)Show SMILES Cc1c(CC(O)=O)c2ccccc2n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H19NO4S/c1-13-17(11-19(21)22)16-5-3-4-6-18(16)20(13)12-14-7-9-15(10-8-14)25(2,23)24/h3-10H,11-12H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50213911
(2-(2-cyclohexyl-4-(trifluoromethyl)phenoxy)acetic ...)Show InChI InChI=1S/C15H17F3O3/c16-15(17,18)11-6-7-13(21-9-14(19)20)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,20) | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4347-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Mus musculus (mouse)) | BDBM50296848
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from mouse CRTh2 receptor expressed in K562 cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233528
(CHEMBL3912535)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H14F6N2O2/c1-10-14(8-16(28)29)13-3-2-6-26-17(13)27(10)9-11-4-5-12(18(20,21)22)7-15(11)19(23,24)25/h2-7H,8-9H2,1H3,(H,28,29) | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296848
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs |
Bioorg Med Chem 21: 6582-91 (2013)
Article DOI: 10.1016/j.bmc.2013.08.025
BindingDB Entry DOI: 10.7270/Q2QR4ZKF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233526
(CHEMBL3983909)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(c(c1)C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C19H17F3N2O4S/c1-11-14(9-17(25)26)13-4-3-7-23-18(13)24(11)10-12-5-6-16(29(2,27)28)15(8-12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233521
(CHEMBL3975922)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C)S(C)(=O)=O Show InChI InChI=1S/C19H20N2O4S/c1-12-9-15(26(3,24)25)7-6-14(12)11-21-13(2)17(10-18(22)23)16-5-4-8-20-19(16)21/h4-9H,10-11H2,1-3H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296848
(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296849
(2-(1-(4-chloro-3-cyanophenylsulfonyl)-2-methyl-1H-...)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(c1)C#N Show InChI InChI=1S/C17H12ClN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23) | PDB
Reactome pathway
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50442299
(CHEMBL2442750)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22) | PDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs |
Bioorg Med Chem 21: 6582-91 (2013)
Article DOI: 10.1016/j.bmc.2013.08.025
BindingDB Entry DOI: 10.7270/Q2QR4ZKF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50442299
(CHEMBL2442750)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296850
(2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-...)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(c1)C#N Show InChI InChI=1S/C17H12FN3O4S/c1-10-14(8-16(22)23)13-3-2-6-20-17(13)21(10)26(24,25)12-4-5-15(18)11(7-12)9-19/h2-7H,8H2,1H3,(H,22,23) | PDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296847
(2-(1-(4-cyano-3-ethoxyphenylsulfonyl)-2-methyl-1H-...)Show SMILES CCOc1cc(ccc1C#N)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12 Show InChI InChI=1S/C19H17N3O5S/c1-3-27-17-9-14(7-6-13(17)11-20)28(25,26)22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10H2,1-2H3,(H,23,24) | PDB
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421325
(CHEMBL2088197)Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2NC(=O)CCc12 |r| Show InChI InChI=1S/C24H30N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5,7,9-10,18,22,25,27-28H,3-4,6,8,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
MMDB
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233530
(CHEMBL4086277)Show SMILES CCc1ccc2c(CC(O)=O)c(C)n(Cc3ccc(cc3)S(C)(=O)=O)c2n1 Show InChI InChI=1S/C20H22N2O4S/c1-4-15-7-10-17-18(11-19(23)24)13(2)22(20(17)21-15)12-14-5-8-16(9-6-14)27(3,25)26/h5-10H,4,11-12H2,1-3H3,(H,23,24) | PDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296859
(2-(2-methyl-1-(4-nitrophenylsulfonyl)-1H-pyrrolo[2...)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N3O6S/c1-10-14(9-15(20)21)13-3-2-8-17-16(13)18(10)26(24,25)12-6-4-11(5-7-12)19(22)23/h2-8H,9H2,1H3,(H,20,21) | PDB
Reactome pathway
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233529
(CHEMBL4073398)Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)cc1 Show InChI InChI=1S/C19H20N2O4S/c1-3-26(24,25)15-8-6-14(7-9-15)12-21-13(2)17(11-18(22)23)16-5-4-10-20-19(16)21/h4-10H,3,11-12H2,1-2H3,(H,22,23) | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296857
(2-(1-(3,4-dichlorophenylsulfonyl)-2-methyl-1H-pyrr...)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H12Cl2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22) | PDB
Reactome pathway
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296846
(2-(1-(4-fluoro-3-methoxyphenylsulfonyl)-2-methyl-1...)Show SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)c(CC(O)=O)c2cccnc12 Show InChI InChI=1S/C17H15FN2O5S/c1-10-13(9-16(21)22)12-4-3-7-19-17(12)20(10)26(23,24)11-5-6-14(18)15(8-11)25-2/h3-8H,9H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50213919
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18) | PDB
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50213919
(2-(4-chloro-2-cycloheptylphenoxy)acetic acid | CHE...)Show InChI InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18) | PDB
Reactome pathway
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4347-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233532
(CHEMBL4064804)Show SMILES Cc1c(CC(O)=O)c2ccc(C)nc2n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H20N2O4S/c1-12-4-9-16-17(10-18(22)23)13(2)21(19(16)20-12)11-14-5-7-15(8-6-14)26(3,24)25/h4-9H,10-11H2,1-3H3,(H,22,23) | PDB
Reactome pathway
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50161746
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1 | PDB
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| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50213912
((S)-2-(4-chloro-2-cyclohexylphenoxy)propanoic acid...)Show InChI InChI=1S/C15H19ClO3/c1-10(15(17)18)19-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,18)/t10-/m0/s1 | PDB
Reactome pathway
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4347-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421330
(CHEMBL2088202)Show SMILES CCC1=C(CC)CC2=C(CC(C2)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1 |r,c:2,t:7| Show InChI InChI=1S/C24H30N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-8,18,22,25,27-28H,3-4,9-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
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| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50213922
(2-(4-bromo-2-cyclohexylphenoxy)acetic acid | CHEMB...)Show InChI InChI=1S/C14H17BrO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17) | PDB
Reactome pathway
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| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4347-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50233527
(CHEMBL3922383)Show SMILES CC(C)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)cc1 Show InChI InChI=1S/C20H22N2O4S/c1-13(2)27(25,26)16-8-6-15(7-9-16)12-22-14(3)18(11-19(23)24)17-5-4-10-21-20(17)22/h4-10,13H,11-12H2,1-3H3,(H,23,24) | PDB
Reactome pathway
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| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
ACS Med Chem Lett 8: 582-586 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50213908
(2-(4-chloro-2-(1-methylcyclohexyl)phenoxy)acetic a...)Show InChI InChI=1S/C15H19ClO3/c1-15(7-3-2-4-8-15)12-9-11(16)5-6-13(12)19-10-14(17)18/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18) | PDB
Reactome pathway
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4347-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50213907
((3-cyclohexyl-4'-fluoro-biphenyl-4-yloxy)-acetic a...)Show InChI InChI=1S/C20H21FO3/c21-17-9-6-14(7-10-17)16-8-11-19(24-13-20(22)23)18(12-16)15-4-2-1-3-5-15/h6-12,15H,1-5,13H2,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4347-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296851
(2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs |
Bioorg Med Chem 21: 6582-91 (2013)
Article DOI: 10.1016/j.bmc.2013.08.025
BindingDB Entry DOI: 10.7270/Q2QR4ZKF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296851
(2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50442309
(CHEMBL2442743)Show InChI InChI=1S/C17H14Cl2N2O2/c1-10-13(8-16(22)23)12-3-2-6-20-17(12)21(10)9-11-4-5-14(18)15(19)7-11/h2-7H,8-9H2,1H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs |
Bioorg Med Chem 21: 6582-91 (2013)
Article DOI: 10.1016/j.bmc.2013.08.025
BindingDB Entry DOI: 10.7270/Q2QR4ZKF |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421330
(CHEMBL2088202)Show SMILES CCC1=C(CC)CC2=C(CC(C2)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1 |r,c:2,t:7| Show InChI InChI=1S/C24H30N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-8,18,22,25,27-28H,3-4,9-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50442310
(CHEMBL2442742)Show InChI InChI=1S/C18H15F3N2O2/c1-11-15(9-16(24)25)14-3-2-8-22-17(14)23(11)10-12-4-6-13(7-5-12)18(19,20)21/h2-8H,9-10H2,1H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs |
Bioorg Med Chem 21: 6582-91 (2013)
Article DOI: 10.1016/j.bmc.2013.08.025
BindingDB Entry DOI: 10.7270/Q2QR4ZKF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50442300
(CHEMBL2442751)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H15N3O4/c1-11-15(9-16(21)22)14-3-2-8-18-17(14)19(11)10-12-4-6-13(7-5-12)20(23)24/h2-8H,9-10H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs |
Bioorg Med Chem 21: 6582-91 (2013)
Article DOI: 10.1016/j.bmc.2013.08.025
BindingDB Entry DOI: 10.7270/Q2QR4ZKF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50442302
(CHEMBL2442736)Show InChI InChI=1S/C17H15ClN2O2/c1-11-15(9-16(21)22)14-3-2-8-19-17(14)20(11)10-12-4-6-13(18)7-5-12/h2-8H,9-10H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs |
Bioorg Med Chem 21: 6582-91 (2013)
Article DOI: 10.1016/j.bmc.2013.08.025
BindingDB Entry DOI: 10.7270/Q2QR4ZKF |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50213917
(2-(4-chloro-2-cyclopentylphenoxy)acetic acid | CHE...)Show InChI InChI=1S/C13H15ClO3/c14-10-5-6-12(17-8-13(15)16)11(7-10)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4347-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50213909
(2-(4-chloro-2-cyclohexylphenoxy)acetic acid | CHEM...)Show InChI InChI=1S/C14H17ClO3/c15-11-6-7-13(18-9-14(16)17)12(8-11)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 4347-50 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.019
BindingDB Entry DOI: 10.7270/Q2N58M2M |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50296845
(2-(1-(3-chloro-4-fluorophenylsulfonyl)-2-methyl-1H...)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C16H12ClFN2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-14(18)13(17)7-10/h2-7H,8H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 4794-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.042
BindingDB Entry DOI: 10.7270/Q2BK1CCF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421328
(CHEMBL2088200)Show SMILES Cc1c2CC(Cc2c(C)c(C)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-12-13(2)15(4)20-10-16(9-19(20)14(12)3)25-11-22(28)17-5-7-21(27)24-18(17)6-8-23(29)26-24/h5-8,16,22,25,27-28H,9-11H2,1-4H3,(H,26,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
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