Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50420023'   

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))	BDBM50420023 (CHEMBL2032315) Show SMILES OC(=O)CCCCCc1ccn2nc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)21-16-19(11-12-20(21)18-8-4-2-5-9-18)24-29-22-15-17(13-14-31(22)30-24)7-3-1-6-10-23(32)33/h2,4-5,8-9,11-16H,1,3,6-7,10H2,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay				Bioorg Med Chem Lett 22: 3973-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.095 BindingDB Entry DOI: 10.7270/Q29P32NS
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