Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50335463'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50335463 (1-(4-(5-cyclohexylbenzofuran-2-yl)-3-fluorobenzyl)...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3cc4cc(ccc4o3)C3CCCCC3)c(F)c2)C1 Show InChI InChI=1S/C25H26FNO3/c26-22-10-16(13-27-14-20(15-27)25(28)29)6-8-21(22)24-12-19-11-18(7-9-23(19)30-24)17-4-2-1-3-5-17/h6-12,17,20H,1-5,13-15H2,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay				ACS Med Chem Lett 2: 97-101 (2011) Article DOI: 10.1021/ml100227q BindingDB Entry DOI: 10.7270/Q2WM1DP6
					More data for this Ligand-Target Pair