Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50381898'   

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))	BDBM50381898 (CHEMBL2022917) Show SMILES CCc1cc(ccc1CC(C)C)-c1ncc(s1)-c1ccc(CN2CC(C2)C(O)=O)nc1CC Show InChI InChI=1S/C27H33N3O2S/c1-5-18-12-20(8-7-19(18)11-17(3)4)26-28-13-25(33-26)23-10-9-22(29-24(23)6-2)16-30-14-21(15-30)27(31)32/h7-10,12-13,17,21H,5-6,11,14-16H2,1-4H3,(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	>2.00E+4	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay				Bioorg Med Chem Lett 22: 3083-8 (2012) Article DOI: 10.1016/j.bmcl.2012.03.067 BindingDB Entry DOI: 10.7270/Q2JS9RG9
					More data for this Ligand-Target Pair