Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50249152'   

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 3 (Homo sapiens (Human))	BDBM50249152 ((S)-2-amino-2-methyl-3-oxo-3-(4-(4-(thiophen-2-yl)...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCc2cccs2)cc1 |r| Show InChI InChI=1S/C18H25N2O6PS/c1-18(19,13-26-27(22,23)24)17(21)20-14-7-9-15(10-8-14)25-11-3-2-5-16-6-4-12-28-16/h4,6-10,12H,2-3,5,11,13,19H2,1H3,(H,20,21)(H2,22,23,24)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Inc Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor				Bioorg Med Chem Lett 19: 2315-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ
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