BDBM50208892 20-(1-aminotridec-2-yn-1-yl)-4-[(4-butoxyphenyl)thio]biphenyl-3-sulfonate::CHEMBL396846

SMILES: CCCCCCCCCCC#CCc1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O

InChI Key: InChIKey=OOZGIKVYDNMBRN-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 = 50208892   

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))	BDBM50208892 (20-(1-aminotridec-2-yn-1-yl)-4-[(4-butoxyphenyl)th...) Show SMILES CCCCCCCCCCC#CCc1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O Show InChI InChI=1S/C35H44O4S2/c1-3-5-7-8-9-10-11-12-13-14-15-18-29-19-16-17-20-33(29)30-21-26-34(35(28-30)41(36,37)38)40-32-24-22-31(23-25-32)39-27-6-4-2/h16-17,19-26,28H,3-13,18,27H2,1-2H3,(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	>8.10E+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