BDBM50186409 3-(4-(5-(4-sec-butoxy-3-cyanophenyl)-1,3,4-thiadiazol-2-yl)-3-methylphenyl)propanoic acid::CHEMBL209778
SMILES: CCC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
InChI Key: InChIKey=NPEUYVBRKRXYBP-UHFFFAOYSA-N
Data: 1 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 |
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Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50186409 (3-(4-(5-(4-sec-butoxy-3-cyanophenyl)-1,3,4-thiadia...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding | Bioorg Med Chem Lett 16: 3684-7 (2006) Article DOI: 10.1016/j.bmcl.2006.04.064 BindingDB Entry DOI: 10.7270/Q2HD7V7J | |||||||||||
More data for this Ligand-Target Pair |