Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 5' and Ligand = 'BDBM50186391'   

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 5 (Homo sapiens (Human))	BDBM50186391 (3-(4-(5-(3-cyano-4-isopropoxyphenyl)-1-methyl-1H-p...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(-c2ccc(CCC(O)=O)cc2C)n1C Show InChI InChI=1S/C25H26N2O3/c1-16(2)30-24-11-7-19(14-20(24)15-26)22-9-10-23(27(22)4)21-8-5-18(13-17(21)3)6-12-25(28)29/h5,7-11,13-14,16H,6,12H2,1-4H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding				Bioorg Med Chem Lett 16: 3684-7 (2006) Article DOI: 10.1016/j.bmcl.2006.04.064 BindingDB Entry DOI: 10.7270/Q2HD7V7J
					More data for this Ligand-Target Pair