BDBM50186389 3-(4-(5-(3-cyano-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-thiadiazol-2-yl)-3-methylphenyl)propanoic acid::CHEMBL211228

SMILES: Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCC(F)(F)F)c(c1)C#N

InChI Key: InChIKey=FKHLQVOCWQEMTI-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 = 50186389   

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))	BDBM50186389 (3-(4-(5-(3-cyano-4-(2,2,2-trifluoroethoxy)phenyl)-...) Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCC(F)(F)F)c(c1)C#N Show InChI InChI=1S/C21H16F3N3O3S/c1-12-8-13(3-7-18(28)29)2-5-16(12)20-27-26-19(31-20)14-4-6-17(15(9-14)10-25)30-11-21(22,23)24/h2,4-6,8-9H,3,7,11H2,1H3,(H,28,29)	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	0.600	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