Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50148402'   

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))	BDBM50148402 (hydrogen (3-{[(4-nonylphenyl)methyl]amino}propyl)p...) Show SMILES CCCCCCCCCc1ccc(CNCCCP(O)[O-])cc1 Show InChI InChI=1S/C19H33NO2P/c1-2-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-23(21)22/h11-14,20-21H,2-10,15-17H2,1H3/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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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