BDBM50308129 4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}-carbonyl)amino]ethyl}benzoic acid::CHEMBL603690
SMILES: C[C@H](NC(=O)c1c(C)sc(C)c1Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(O)=O
InChI Key: InChIKey=DOTIWNYTQPDMBR-ZDUSSCGKSA-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)) | BDBM50308129 (4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | 1.40 | -12.1 | 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)) | BDBM50308129 (4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.40 | 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 | |||||||||||||
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human)) | BDBM50308129 (4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.19E+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 IP receptor (Homo sapiens (Human)) | BDBM50308129 (4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >5.47E+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]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 | |||||||||||||
Prostanoid TP receptor (Homo sapiens (Human)) | BDBM50308129 (4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >5.47E+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 | |||||||||||||
Prostaglandin F2-alpha receptor (Homo sapiens (Human)) | BDBM50308129 (4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >5.47E+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]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 DP receptor (Homo sapiens (Human)) | BDBM50308129 (4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >5.47E+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)) | BDBM50308129 (4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >5.47E+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 | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50308129 (4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >5.47E+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 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 | |||||||||||||
Prostaglandin E2 receptor (Homo sapiens (Human)) | BDBM50308129 (4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >5.47E+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 | |||||||||||||
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human)) | BDBM50308129 (4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.5 | 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 |