BDBM50208894 CHEMBL277377::sodium 4-[(4-hexyloxyphenyl)thio]-20-(1-hydroxytridec-2-yl)biphenyl-3-sulfonate

SMILES: CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCCCC)cc2)c(c1)S([O-])(=O)=O

InChI Key: InChIKey=JEPABZVKYKGQIC-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 = 50208894   

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))	BDBM50208894 (CHEMBL277377 | sodium 4-[(4-hexyloxyphenyl)thio]-2...) Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C37H48O5S2/c1-3-5-7-9-10-11-12-13-14-15-21-35(38)34-20-17-16-19-33(34)30-22-27-36(37(29-30)44(39,40)41)43-32-25-23-31(24-26-32)42-28-18-8-6-4-2/h16-17,19-20,22-27,29,35,38H,3-14,18,28H2,1-2H3,(H,39,40,41)/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	520	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