Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50039655 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)) | BDBM50381815
(CHEMBL2023641)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)c2ccccc12 Show InChI InChI=1S/C27H19N3O4/c31-24(32)14-18-15-28-25(21-7-3-2-6-20(18)21)26(33)16-9-11-19(12-10-16)29-27(34)23-13-17-5-1-4-8-22(17)30-23/h1-13,15,30H,14H2,(H,29,34)(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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381818
(CHEMBL2023644)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H17ClN2O4/c26-18-5-3-4-16(12-18)25(32)28-19-10-8-15(9-11-19)24(31)23-21-7-2-1-6-20(21)17(14-27-23)13-22(29)30/h1-12,14H,13H2,(H,28,32)(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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381819
(CHEMBL2023645)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2ccccc12 Show InChI InChI=1S/C25H17ClN2O4/c26-18-9-5-16(6-10-18)25(32)28-19-11-7-15(8-12-19)24(31)23-21-4-2-1-3-20(21)17(14-27-23)13-22(29)30/h1-12,14H,13H2,(H,28,32)(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381814
(CHEMBL2023640)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2ccccc12 Show InChI InChI=1S/C29H20N2O4/c32-26(33)16-22-17-30-27(25-8-4-3-7-24(22)25)28(34)19-11-13-23(14-12-19)31-29(35)21-10-9-18-5-1-2-6-20(18)15-21/h1-15,17H,16H2,(H,31,35)(H,32,33) | PDB
Reactome pathway
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| 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 |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381825
(CHEMBL2023651)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C27H18Cl2N2O4/c28-22-11-5-16(13-23(22)29)6-12-24(32)31-19-9-7-17(8-10-19)27(35)26-21-4-2-1-3-20(21)18(15-30-26)14-25(33)34/h1-13,15H,14H2,(H,31,32)(H,33,34)/b12-6+ | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381821
(CHEMBL2023647)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c2ccccc12 Show InChI InChI=1S/C26H17F3N2O4/c27-26(28,29)18-9-5-16(6-10-18)25(35)31-19-11-7-15(8-12-19)24(34)23-21-4-2-1-3-20(21)17(14-30-23)13-22(32)33/h1-12,14H,13H2,(H,31,35)(H,32,33) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381827
(CHEMBL2023653)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H18Cl2N2O3/c26-21-10-5-15(11-22(21)27)13-28-18-8-6-16(7-9-18)25(32)24-20-4-2-1-3-19(20)17(14-29-24)12-23(30)31/h1-11,14,28H,12-13H2,(H,30,31) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381822
(CHEMBL2023648)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C26H20N2O5/c1-33-20-12-8-17(9-13-20)26(32)28-19-10-6-16(7-11-19)25(31)24-22-5-3-2-4-21(22)18(15-27-24)14-23(29)30/h2-13,15H,14H2,1H3,(H,28,32)(H,29,30) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381831
(CHEMBL2023657)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(cc2)C(=O)NCCc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C27H21ClN2O4/c28-21-11-5-17(6-12-21)13-14-29-27(34)19-9-7-18(8-10-19)26(33)25-23-4-2-1-3-22(23)20(16-30-25)15-24(31)32/h1-12,16H,13-15H2,(H,29,34)(H,31,32) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381813
(CHEMBL2023638)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc12 Show InChI InChI=1S/C25H18N2O4/c28-22(29)14-18-15-26-23(21-9-5-4-8-20(18)21)24(30)16-10-12-19(13-11-16)27-25(31)17-6-2-1-3-7-17/h1-13,15H,14H2,(H,27,31)(H,28,29) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381830
(CHEMBL2023656)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(cc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-9-17(12-21(20)27)29-25(33)15-7-5-14(6-8-15)24(32)23-19-4-2-1-3-18(19)16(13-28-23)11-22(30)31/h1-10,12-13H,11H2,(H,29,33)(H,30,31) | PDB
Reactome pathway
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PC sid
UniChem
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381824
(CHEMBL2023650)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C27H20Cl2N2O4/c28-22-11-5-16(13-23(22)29)6-12-24(32)31-19-9-7-17(8-10-19)27(35)26-21-4-2-1-3-20(21)18(15-30-26)14-25(33)34/h1-5,7-11,13,15H,6,12,14H2,(H,31,32)(H,33,34) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381833
(CHEMBL2023639)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c2ccccc12 Show InChI InChI=1S/C25H24N2O4/c28-22(29)14-18-15-26-23(21-9-5-4-8-20(18)21)24(30)16-10-12-19(13-11-16)27-25(31)17-6-2-1-3-7-17/h4-5,8-13,15,17H,1-3,6-7,14H2,(H,27,31)(H,28,29) | PDB
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UniChem
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381821
(CHEMBL2023647)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c2ccccc12 Show InChI InChI=1S/C26H17F3N2O4/c27-26(28,29)18-9-5-16(6-10-18)25(35)31-19-11-7-15(8-12-19)24(34)23-21-4-2-1-3-20(21)17(14-30-23)13-22(32)33/h1-12,14H,13H2,(H,31,35)(H,32,33) | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTH2 receptor expressed in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ concen... |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381825
(CHEMBL2023651)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C27H18Cl2N2O4/c28-22-11-5-16(13-23(22)29)6-12-24(32)31-19-9-7-17(8-10-19)27(35)26-21-4-2-1-3-20(21)18(15-30-26)14-25(33)34/h1-13,15H,14H2,(H,31,32)(H,33,34)/b12-6+ | PDB
Reactome pathway
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTH2 receptor expressed in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ concen... |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381823
(CHEMBL2023649)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31) | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381823
(CHEMBL2023649)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31) | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at CRTH2 receptor in human Th2 cells assessed as inhibition of PGD2-induced chemotaxis after 1 hr by hemocytometry |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381832
(CHEMBL2023659)Show SMILES OC(=O)COc1cnc(C(=O)c2ccc(cc2)C(=O)NCCc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C27H21ClN2O5/c28-20-11-5-17(6-12-20)13-14-29-27(34)19-9-7-18(8-10-19)26(33)25-22-4-2-1-3-21(22)23(15-30-25)35-16-24(31)32/h1-12,15H,13-14,16H2,(H,29,34)(H,31,32) | PDB
Reactome pathway
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AffyNet
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381829
(CHEMBL2023655)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H17Cl2NO4/c26-21-10-5-15(11-22(21)27)14-32-18-8-6-16(7-9-18)25(31)24-20-4-2-1-3-19(20)17(13-28-24)12-23(29)30/h1-11,13H,12,14H2,(H,29,30) | PDB
Reactome pathway
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381813
(CHEMBL2023638)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc12 Show InChI InChI=1S/C25H18N2O4/c28-22(29)14-18-15-26-23(21-9-5-4-8-20(18)21)24(30)16-10-12-19(13-11-16)27-25(31)17-6-2-1-3-7-17/h1-13,15H,14H2,(H,27,31)(H,28,29) | PDB
Reactome pathway
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTH2 receptor expressed in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ concen... |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381820
(CHEMBL2023646)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc12 Show InChI InChI=1S/C25H17ClN2O4/c26-21-8-4-3-7-20(21)25(32)28-17-11-9-15(10-12-17)24(31)23-19-6-2-1-5-18(19)16(14-27-23)13-22(29)30/h1-12,14H,13H2,(H,28,32)(H,29,30) | PDB
Reactome pathway
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381816
(CHEMBL2023642)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccncc3)cc2)c2ccccc12 Show InChI InChI=1S/C24H17N3O4/c28-21(29)13-17-14-26-22(20-4-2-1-3-19(17)20)23(30)15-5-7-18(8-6-15)27-24(31)16-9-11-25-12-10-16/h1-12,14H,13H2,(H,27,31)(H,28,29) | PDB
Reactome pathway
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| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381829
(CHEMBL2023655)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H17Cl2NO4/c26-21-10-5-15(11-22(21)27)14-32-18-8-6-16(7-9-18)25(31)24-20-4-2-1-3-19(20)17(13-28-24)12-23(29)30/h1-11,13H,12,14H2,(H,29,30) | PDB
Reactome pathway
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTH2 receptor expressed in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ concen... |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381834
(CHEMBL2023658)Show SMILES CC(C)(C(O)=O)c1cnc(C(=O)c2ccc(cc2)C(=O)NCCc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C29H25ClN2O4/c1-29(2,28(35)36)24-17-32-25(23-6-4-3-5-22(23)24)26(33)19-9-11-20(12-10-19)27(34)31-16-15-18-7-13-21(30)14-8-18/h3-14,17H,15-16H2,1-2H3,(H,31,34)(H,35,36) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381826
(CHEMBL2023652)Show SMILES CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C26H18Cl2N2O4/c1-30(26(34)16-8-11-21(27)22(28)12-16)18-9-6-15(7-10-18)25(33)24-20-5-3-2-4-19(20)17(14-29-24)13-23(31)32/h2-12,14H,13H2,1H3,(H,31,32) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381817
(CHEMBL2023643)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ncccn3)cc2)c2ccccc12 Show InChI InChI=1S/C23H16N4O4/c28-19(29)12-15-13-26-20(18-5-2-1-4-17(15)18)21(30)14-6-8-16(9-7-14)27-23(31)22-24-10-3-11-25-22/h1-11,13H,12H2,(H,27,31)(H,28,29) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381812
(CHEMBL2023637)Show SMILES CC(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C20H16N2O4/c1-12(23)22-15-8-6-13(7-9-15)20(26)19-17-5-3-2-4-16(17)14(11-21-19)10-18(24)25/h2-9,11H,10H2,1H3,(H,22,23)(H,24,25) | PDB
Reactome pathway
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| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381828
(CHEMBL2023654)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C24H16Cl2N2O5S/c25-20-10-9-17(12-21(20)26)34(32,33)28-16-7-5-14(6-8-16)24(31)23-19-4-2-1-3-18(19)15(13-27-23)11-22(29)30/h1-10,12-13,28H,11H2,(H,29,30) | PDB
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PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50381817
(CHEMBL2023643)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ncccn3)cc2)c2ccccc12 Show InChI InChI=1S/C23H16N4O4/c28-19(29)12-15-13-26-20(18-5-2-1-4-17(15)18)21(30)14-6-8-16(9-7-14)27-23(31)22-24-10-3-11-25-22/h1-11,13H,12H2,(H,27,31)(H,28,29) | PDB
Reactome pathway
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| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTH2 receptor expressed in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ concen... |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50381823
(CHEMBL2023649)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31) | UniProtKB/SwissProt
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DP1 prostanoid receptor |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50381823
(CHEMBL2023649)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31) | PDB
UniProtKB/SwissProt
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CHEMBL
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of COX-1 |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50381823
(CHEMBL2023649)Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H16Cl2N2O4/c26-20-10-7-15(11-21(20)27)25(33)29-17-8-5-14(6-9-17)24(32)23-19-4-2-1-3-18(19)16(13-28-23)12-22(30)31/h1-11,13H,12H2,(H,29,33)(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
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CHEMBL
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of COX-2 |
Bioorg Med Chem Lett 22: 3305-10 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7 |
More data for this
Ligand-Target Pair | |
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