BDBM22224 2-methyl-3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)propanoic acid::3-arylpropionic acid derivative, 7a
SMILES: CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CC(C)C(O)=O)cc1C
InChI Key: InChIKey=LCSZAZVGIKVASD-UHFFFAOYSA-N
Data: 3 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM22224 (2-methyl-3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(t...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | 7.4 | 22 |
Merck Research Laboratories | Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr... | Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM22224 (2-methyl-3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(t...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 9.90 | n/a | n/a | 7.4 | 22 |
Merck Research Laboratories | Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr... | Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM22224 (2-methyl-3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(t...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 400 | n/a | n/a | 7.4 | 22 |
Merck Research Laboratories | Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr... | Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV | |||||||||||
More data for this Ligand-Target Pair |