BDBM50039916 4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (thiophene-2-carbonyl)-amide::CHEMBL314812
SMILES: CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1cccs1
InChI Key: InChIKey=ONISZXSDXWTXDP-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)) | BDBM50039916 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 46 | 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 Binding affinity at human Prostanoid EP4 receptor. | Bioorg Med Chem Lett 12: 2583-6 (2002) BindingDB Entry DOI: 10.7270/Q2QN663S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E2 receptor (Homo sapiens (Human)) | BDBM50039916 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 7.00E+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 Binding affinity at human Prostanoid EP3 receptor. | Bioorg Med Chem Lett 12: 2583-6 (2002) BindingDB Entry DOI: 10.7270/Q2QN663S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E2 receptor EP1 subtype (EP1) (Homo sapiens (Human)) | BDBM50039916 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+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 Binding affinity at human Prostanoid EP1 receptor. | Bioorg Med Chem Lett 12: 2583-6 (2002) BindingDB Entry DOI: 10.7270/Q2QN663S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human)) | BDBM50039916 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+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 Binding affinity at human Prostanoid EP2 receptor. | Bioorg Med Chem Lett 12: 2583-6 (2002) BindingDB Entry DOI: 10.7270/Q2QN663S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II type 1a (AT-1a) receptor (RABBIT) | BDBM50039916 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII | J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II AT2 (RAT) | BDBM50039916 (4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory activity against angiotensin II rat midbrain AT2 receptor using radioligand [125I]-Sar Ile-AII | J Med Chem 37: 2808-24 (1994) BindingDB Entry DOI: 10.7270/Q2M907QM | |||||||||||
More data for this Ligand-Target Pair |