BDBM22228 (1S,2S)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl}-3-methylphenyl)cyclopropane-1-carboxylic acid::3-arylpropionic acid derivative, 18b
SMILES: CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O
InChI Key: InChIKey=UTNBQROSKIERML-MOPGFXCFSA-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)) | BDBM22228![]() ((1S,2S)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...) | 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 | 0.450 | 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)) | BDBM22228![]() ((1S,2S)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...) | 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 | 13.6 | 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)) | BDBM22228![]() ((1S,2S)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...) | 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 | >1.00E+4 | 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 |