BDBM50186398 3-(4-(5-(4-(carboxymethoxy)-3-cyanophenyl)-1,3,4-thiadiazol-2-yl)-3-methylphenyl)propanoic acid::CHEMBL210841

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

InChI Key: InChIKey=AYHFVMSKBWKSMQ-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 = 50186398   

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))	BDBM50186398 (3-(4-(5-(4-(carboxymethoxy)-3-cyanophenyl)-1,3,4-t...) Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCC(O)=O)c(c1)C#N Show InChI InChI=1S/C21H17N3O5S/c1-12-8-13(3-7-18(25)26)2-5-16(12)21-24-23-20(30-21)14-4-6-17(15(9-14)10-22)29-11-19(27)28/h2,4-6,8-9H,3,7,11H2,1H3,(H,25,26)(H,27,28)	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	360	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