Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50148412'   

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))	BDBM50148412 ((3-Amino-hexadecyl)-phosphonic acid | CHEMBL119760) Show SMILES CCCCCCCCCCCCCC(N)CCP(O)(O)=O Show InChI InChI=1S/C16H36NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(17)14-15-21(18,19)20/h16H,2-15,17H2,1H3,(H2,18,19,20)	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	25	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: 3495-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.069 BindingDB Entry DOI: 10.7270/Q2SF2WRM
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