BDBM50063887 CHEMBL3403623

SMILES: CC(C)Oc1ccc(COc2ccc3n4CCCC(CC(O)=O)c4cc3c2)cc1C(F)(F)F

InChI Key: InChIKey=YYERQLHBQBHYKE-UHFFFAOYSA-N

Data: 1 EC50

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 = 50063887   

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))	BDBM50063887 (CHEMBL3403623) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCCC(CC(O)=O)c4cc3c2)cc1C(F)(F)F Show InChI InChI=1S/C25H26F3NO4/c1-15(2)33-23-8-5-16(10-20(23)25(26,27)28)14-32-19-6-7-21-18(11-19)12-22-17(13-24(30)31)4-3-9-29(21)22/h5-8,10-12,15,17H,3-4,9,13-14H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay				Bioorg Med Chem Lett 25: 659-63 (2015) Article DOI: 10.1016/j.bmcl.2014.11.089 BindingDB Entry DOI: 10.7270/Q25T3N5P
					More data for this Ligand-Target Pair