Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50315819'   

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))	BDBM50315819 (2-Amino-4-[3-chloro-2'-fluoro-4'-(4-methylphenylth...) Show SMILES Cc1ccc(Sc2ccc(c(F)c2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)c(Cl)c2)cc1 Show InChI InChI=1S/C24H26ClFNO5PS/c1-16-2-6-19(7-3-16)34-20-8-9-21(23(26)13-20)18-5-4-17(22(25)12-18)10-11-24(27,14-28)15-32-33(29,30)31/h2-9,12-13,28H,10-11,14-15,27H2,1H3,(H2,29,30,31)	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	>1.00E+3	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization				J Med Chem 53: 3154-68 (2010) Article DOI: 10.1021/jm901776q BindingDB Entry DOI: 10.7270/Q2HH6K7W
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