BDBM50308131 4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}-carbonyl)amino]cyclopropyl}benzoic Acid::CHEMBL597997
SMILES: Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
InChI Key: InChIKey=QJZQFVRFJCGDKF-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | 0.5 | -12.7 | n/a | n/a | n/a | n/a | n/a | 6.0 | 25 |
Merck Frosst Canada Ltd. US Patent | Assay Description Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th... | US Patent US8969394 (2015) BindingDB Entry DOI: 10.7270/Q24X56H8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostanoid EP4 receptor (Rattus norvegicus) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGE2 from rat EP4 receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells by scintillation counting in presence of 10% human serum | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PTGER2 (RAT) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGE2 from rat EP3 receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostanoid DP receptor (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E2 receptor EP1 subtype (EP1) (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGE2 from human EP1 receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGE2 from human EP2 receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostanoid TP receptor (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]SQ29548 from human TP receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostanoid EP2 receptor (Rattus norvegicus) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGE2 from rat EP2 receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E2 receptor (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGE2 from human EP3 receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGD2 from human DP2 receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostanoid IP receptor (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]iloprost from human IP receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin F2-alpha receptor (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGF2alpha from human FP receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostanoid EP1 receptor (Rattus norvegicus (Rat)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGE2 from rat EP1 receptor expressed in HEK293-EBNA cells by scintillation counting | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximi... | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximi... | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human)) | BDBM50308131 (4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Activity at EP4 receptor in human whole blood assessed as blockade of inhibition of TNFalpha-induced IP10 release | J Med Chem 53: 2227-38 (2010) Article DOI: 10.1021/jm901771h BindingDB Entry DOI: 10.7270/Q29W0FMT | |||||||||||
More data for this Ligand-Target Pair |