BDBM50186386 3-(4-(5-(3-cyano-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl)-3-methylphenyl)propanoic acid::CHEMBL206939

SMILES: COc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C

InChI Key: InChIKey=JASAOBWMLLELHK-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50186386   

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))	BDBM50186386 (3-(4-(5-(3-cyano-4-methoxyphenyl)-1,3,4-thiadiazol...) Show SMILES COc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C20H17N3O3S/c1-12-9-13(4-8-18(24)25)3-6-16(12)20-23-22-19(27-20)14-5-7-17(26-2)15(10-14)11-21/h3,5-7,9-10H,4,8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	97	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