Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50336940'   

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))	BDBM50336940 (1-(4-(6-Benzylimidazo[1,2-a]pyridin-2-yl)-3-fluoro...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3cn4cc(Cc5ccccc5)ccc4n3)c(F)c2)C1 Show InChI InChI=1S/C25H22FN3O2/c26-22-11-19(12-28-14-20(15-28)25(30)31)6-8-21(22)23-16-29-13-18(7-9-24(29)27-23)10-17-4-2-1-3-5-17/h1-9,11,13,16,20H,10,12,14-15H2,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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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