BDBM50208896 CHEMBL397080::sodium 4-[(4-butoxyphenyl)thio]-20-[1-hydroxy-4-[(5-hydroxypentyl)oxy]but-2-yn-1-yl]biphenyl-3-sulfonate

SMILES: CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCO)cc1

InChI Key: InChIKey=HGIHRDDVHJBQCK-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 = 50208896   

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))	BDBM50208896 (CHEMBL397080 | sodium 4-[(4-butoxyphenyl)thio]-20-...) Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C31H36O7S2/c1-2-3-22-38-25-14-16-26(17-15-25)39-30-18-13-24(23-31(30)40(34,35)36)27-10-5-6-11-28(27)29(33)12-9-21-37-20-8-4-7-19-32/h5-6,10-11,13-18,23,29,32-33H,2-4,7-8,19-22H2,1H3,(H,34,35,36)/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	340	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