BDBM50208899 CHEMBL239650::sodium 4-(4-ethoxyphenoxy)-30-(1-hydroxytridec-2-yn-1-yl)biphenyl-3-sulfonate

SMILES: CCCCCCCCCCC#CC(O)c1cccc(c1)-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O

InChI Key: InChIKey=PBJPRIHMRWPOMO-UHFFFAOYSA-M

Data: 1 IC50

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 = 50208899   

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))	BDBM50208899 (CHEMBL239650 | sodium 4-(4-ethoxyphenoxy)-30-(1-hy...) Show SMILES CCCCCCCCCCC#CC(O)c1cccc(c1)-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C33H40O6S/c1-3-5-6-7-8-9-10-11-12-13-17-31(34)28-16-14-15-26(24-28)27-18-23-32(33(25-27)40(35,36)37)39-30-21-19-29(20-22-30)38-4-2/h14-16,18-25,31,34H,3-12H2,1-2H3,(H,35,36,37)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay				Bioorg Med Chem 15: 3548-64 (2007) Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T
					More data for this Ligand-Target Pair