Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50148427'   

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))	BDBM50148427 (CHEMBL441826 | [3-(3-Bromo-4-decyloxy-5-methoxy-be...) Show SMILES CCCCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC Show InChI InChI=1S/C21H37BrNO5P/c1-3-4-5-6-7-8-9-10-13-28-21-19(22)15-18(16-20(21)27-2)17-23-12-11-14-29(24,25)26/h15-16,23H,3-14,17H2,1-2H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
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