Found 52 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
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 | |
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)) | 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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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)) | 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)) | 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 | |
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)) | BDBM50442303
(CHEMBL2442752)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O4S/c1-11-15(9-16(24)25)14-3-2-8-22-17(14)23(11)10-12-4-6-13(7-5-12)28(26,27)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
| 208 | 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)) | BDBM50442301
(CHEMBL2442748)Show InChI InChI=1S/C18H18N2O3S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)24(2)23/h3-9H,10-11H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 249 | 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)) | BDBM50442315
(CHEMBL2442737)Show InChI InChI=1S/C17H15ClN2O2/c1-11-15(9-16(21)22)14-6-3-7-19-17(14)20(11)10-12-4-2-5-13(18)8-12/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
| 270 | 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)) | BDBM50442308
(CHEMBL2442744)Show InChI InChI=1S/C17H14F2N2O2/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
| 278 | 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)) | BDBM50442311
(CHEMBL2442741)Show InChI InChI=1S/C18H18N2O2/c1-12-5-7-14(8-6-12)11-20-13(2)16(10-17(21)22)15-4-3-9-19-18(15)20/h3-9H,10-11H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 302 | 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)) | BDBM50442304
(CHEMBL2442749)Show InChI InChI=1S/C18H15N3O2/c1-12-16(9-17(22)23)15-3-2-8-20-18(15)21(12)11-14-6-4-13(10-19)5-7-14/h2-8H,9,11H2,1H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 379 | 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)) | BDBM50442312
(CHEMBL2442740)Show InChI InChI=1S/C18H18N2O3/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(23-2)8-6-13/h3-9H,10-11H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 504 | 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)) | BDBM50442313
(CHEMBL2442739)Show InChI InChI=1S/C17H16N2O2/c1-12-15(10-16(20)21)14-8-5-9-18-17(14)19(12)11-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 588 | 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)) | BDBM50442314
(CHEMBL2442738)Show InChI InChI=1S/C17H15ClN2O2/c1-11-14(9-16(21)22)13-6-4-8-19-17(13)20(11)10-12-5-2-3-7-15(12)18/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
| 624 | 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)) | BDBM50442307
(CHEMBL2442745)Show InChI InChI=1S/C16H15N3O2/c1-11-14(8-15(20)21)13-5-3-7-18-16(13)19(11)10-12-4-2-6-17-9-12/h2-7,9H,8,10H2,1H3,(H,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.06E+3 | 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)) | BDBM50442306
(CHEMBL2442746)Show InChI InChI=1S/C16H15N3O2/c1-11-14(9-15(20)21)13-3-2-6-18-16(13)19(11)10-12-4-7-17-8-5-12/h2-8H,9-10H2,1H3,(H,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.23E+3 | 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)) | BDBM50442305
(CHEMBL2442747)Show InChI InChI=1S/C16H15N3O2/c1-11-14(9-15(20)21)13-6-4-8-18-16(13)19(11)10-12-5-2-3-7-17-12/h2-8H,9-10H2,1H3,(H,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.94E+3 | 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of 11-Dehydro-TXB2-induced shape change after 5 mins by flo... |
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
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of delta12-PGD2-induced shape change after 5 mins by flow c... |
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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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of DK-PGD2-induced shape change after 5 mins by flow cytome... |
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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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of DK-PGD2-induced shape change after 5 mins by flow cytome... |
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)) | 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
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of DK-PGD2-induced shape change after 5 mins by flow cytome... |
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
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of DK-PGD2-induced shape change after 5 mins by flow cytome... |
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
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of DK-PGD2-induced shape change after 5 mins by flow cytome... |
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
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of DK-PGD2-induced shape change after 5 mins by flow cytome... |
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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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of DK-PGD2-induced eosinophil shape change after 5 mins by flow cyt... |
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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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of prostaglandin D2 and forskolin-induced cAMP accumulation... |
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)) | BDBM50442301
(CHEMBL2442748)Show InChI InChI=1S/C18H18N2O3S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)24(2)23/h3-9H,10-11H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of DK-PGD2-induced shape change after 5 mins by flow cytome... |
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)) | BDBM50442301
(CHEMBL2442748)Show InChI InChI=1S/C18H18N2O3S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)24(2)23/h3-9H,10-11H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of DK-PGD2-induced shape change after 5 mins by flow cytome... |
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)) | 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
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PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of prostaglandin D2 and forskolin-induced cAMP accumulation... |
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
(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
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| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CRTh2 receptor expressed in CHO-K1 cells assessed as inhibition of [125S]-GTP-gamma-S binding after 50 mins by liquid sc... |
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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| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 5 mins by flow cytome... |
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
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PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of DK-PGD2-induced shape change after 5 mins by flow cytome... |
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)) | BDBM50442303
(CHEMBL2442752)Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O4S/c1-11-15(9-16(24)25)14-3-2-8-22-17(14)23(11)10-12-4-6-13(7-5-12)28(26,27)18(19,20)21/h2-8H,9-10H2,1H3,(H,24,25) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of prostaglandin D2 and forskolin-induced cAMP accumulation... |
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
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PubMed
| n/a | n/a | 484 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of prostaglandin D2 and forskolin-induced cAMP accumulation... |
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)) | BDBM50442304
(CHEMBL2442749)Show InChI InChI=1S/C18H15N3O2/c1-12-16(9-17(22)23)15-3-2-8-20-18(15)21(12)11-14-6-4-13(10-19)5-7-14/h2-8H,9,11H2,1H3,(H,22,23) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 554 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of prostaglandin D2 and forskolin-induced cAMP accumulation... |
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
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| n/a | n/a | 565 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of prostaglandin D2 and forskolin-induced cAMP accumulation... |
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 | |
Thromboxane A2 receptor
(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
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of prostanoid TP receptor (unknown origin) |
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 F2-alpha receptor
(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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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of prostanoid FP receptor (unknown origin) |
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 | |
Prostacyclin receptor
(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
NCI pathway
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of prostanoid IP receptor (unknown origin) |
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 E2 receptor EP4 subtype
(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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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of prostanoid EP4 receptor (unknown origin) |
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
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Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of eotaxin-induced shape change after 5 mins by flow cytome... |
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
(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) | UniProtKB/SwissProt
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Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of prostanoid DP1 receptor (unknown origin) |
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 E2 receptor EP3 subtype
(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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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of prostanoid EP3 receptor (unknown origin) |
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 E2 receptor EP2 subtype
(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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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of prostanoid EP2 receptor (unknown origin) |
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 | |
Cytochrome P450 2C9
(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
MMDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
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 | |
Cytochrome P450 1A2
(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
MMDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
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 | |
Cytochrome P450 3A4
(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
MMDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
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 | |
Cytochrome P450 2D6
(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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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
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 | |
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