Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50169454'   

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))	BDBM50169454 (CHEMBL188826 | Thiophosphoric acid (R)-2-amino-2-[...) Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@@H](N)COP(O)(O)=S Show InChI InChI=1S/C19H30N3O3PS/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-25-26(23,24)27/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,27)/t17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Effective concentration against sphingosine 1-phosphate receptor 3 determined by a [c-35S]-GTP binding assay				Bioorg Med Chem Lett 15: 3568-72 (2005) Article DOI: 10.1016/j.bmcl.2005.05.097 BindingDB Entry DOI: 10.7270/Q2RF5VSG
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