Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50315807'   

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))	BDBM50315807 (2-amino-4-(4'-butoxy-2',5'-difluorobiphenyl-4-yl)-...) Show SMILES CCCCOc1cc(F)c(cc1F)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C21H28F2NO6P/c1-2-3-10-29-20-12-18(22)17(11-19(20)23)16-6-4-15(5-7-16)8-9-21(24,13-25)14-30-31(26,27)28/h4-7,11-12,25H,2-3,8-10,13-14,24H2,1H3,(H2,26,27,28)	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	1.20	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
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