Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 2' and Ligand = 'BDBM50120577'   

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 2 (Homo sapiens (Human))	BDBM50120577 (CHEMBL3618194) Show SMILES Fc1cc(NC(=O)N2CCC(F)(CC2)c2ccc(Br)cc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H16BrF5N2O/c20-14-3-1-12(2-4-14)18(22)5-7-27(8-6-18)17(28)26-16-10-13(19(23,24)25)9-15(21)11-16/h1-4,9-11H,5-8H2,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Curated by ChEMBL					Assay Description Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay				Bioorg Med Chem Lett 25: 4387-92 (2015) Article DOI: 10.1016/j.bmcl.2015.09.022 BindingDB Entry DOI: 10.7270/Q2SX6G1K
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