BDBM50208884 CHEMBL241104::sodium 20-(1-hydroxytridec-2-yn-1-yl)-4-[(4-propoxyphenyl)thio]biphenyl-3-sulfonate

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

InChI Key: InChIKey=JKARPRKOEIXEST-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 = 50208884   

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))	BDBM50208884 (CHEMBL241104 | sodium 20-(1-hydroxytridec-2-yn-1-y...) Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C34H42O5S2/c1-3-5-6-7-8-9-10-11-12-13-18-32(35)31-17-15-14-16-30(31)27-19-24-33(34(26-27)41(36,37)38)40-29-22-20-28(21-23-29)39-25-4-2/h14-17,19-24,26,32,35H,3-12,25H2,1-2H3,(H,36,37,38)/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	190	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