Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50315805'   

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 1 (Homo sapiens (Human))	BDBM50315805 (2-amino-4-(4'-butoxybiphenyl-4-yl)-2-(hydroxymethy...) Show SMILES CCCCOc1ccc(cc1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C21H30NO6P/c1-2-3-14-27-20-10-8-19(9-11-20)18-6-4-17(5-7-18)12-13-21(22,15-23)16-28-29(24,25)26/h4-11,23H,2-3,12-16,22H2,1H3,(H2,24,25,26)	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	0.810	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization				J Med Chem 53: 3154-68 (2010) Article DOI: 10.1021/jm901776q BindingDB Entry DOI: 10.7270/Q2HH6K7W
					More data for this Ligand-Target Pair