Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50315808'   

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))	BDBM50315808 (2-Amino-4-(4'-butoxy-3'-fluorobiphenyl-4-yl)-2-(ph...) Show SMILES CCCCOc1ccc(cc1F)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C21H29FNO6P/c1-2-3-12-28-20-9-8-18(13-19(20)22)17-6-4-16(5-7-17)10-11-21(23,14-24)15-29-30(25,26)27/h4-9,13,24H,2-3,10-12,14-15,23H2,1H3,(H2,25,26,27)	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	1.30	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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