BDBM50117700 CHEMBL87366::Thiophene-2-sulfonic acid (3-{4'-[3-(3-phenethylsulfanylmethyl-phenoxy)-propoxy]-biphenyl-2-yl}-propionyl)-amide
SMILES: O=C(CCc1ccccc1-c1ccc(OCCCOc2cccc(CSCCc3ccccc3)c2)cc1)NS(=O)(=O)c1cccs1
InChI Key: InChIKey=NNDRPNPOLHKHSD-UHFFFAOYSA-N
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prostaglandin E2 receptor (Homo sapiens (Human)) | BDBM50117700 (CHEMBL87366 | Thiophene-2-sulfonic acid (3-{4'-[3-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 16 | 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 EP2 subtype (Homo sapiens (Human)) | BDBM50117700 (CHEMBL87366 | Thiophene-2-sulfonic acid (3-{4'-[3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.90E+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 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 | |||||||||||||
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human)) | BDBM50117700 (CHEMBL87366 | Thiophene-2-sulfonic acid (3-{4'-[3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 7.10E+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 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 EP1 subtype (EP1) (Homo sapiens (Human)) | BDBM50117700 (CHEMBL87366 | Thiophene-2-sulfonic acid (3-{4'-[3-...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30E+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 |