Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50420034'   

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))	BDBM50420034 (CHEMBL2032436) Show SMILES OC(=O)C1CCN(CCc2ccc3oc(nc3c2)-c2ccc(-c3ccccc3)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C28H25F3N2O3/c29-28(30,31)23-17-21(7-8-22(23)19-4-2-1-3-5-19)26-32-24-16-18(6-9-25(24)36-26)10-13-33-14-11-20(12-15-33)27(34)35/h1-9,16-17,20H,10-15H2,(H,34,35)	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	501	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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