Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50336939'   

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))	BDBM50336939 (1-((4-(5-(2,6-Difluorobenzyl)benzo[d]thiazol-2-yl)...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5c(F)cccc5F)ccc4s3)c(F)c2)C1 Show InChI InChI=1S/C25H19F3N2O2S/c26-19-2-1-3-20(27)18(19)8-14-5-7-23-22(10-14)29-24(33-23)17-6-4-15(9-21(17)28)11-30-12-16(13-30)25(31)32/h1-7,9-10,16H,8,11-13H2,(H,31,32)	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	>2.50E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay				ACS Med Chem Lett 2: 102-106 (2011) Article DOI: 10.1021/ml100228m BindingDB Entry DOI: 10.7270/Q2T72HR9
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