Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 5' and Ligand = 'BDBM22229'   

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))	BDBM22229 ((1S,2R)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H21N3O4/c1-12(2)29-20-7-5-15(9-16(20)11-24)22-25-21(26-30-22)17-6-4-14(8-13(17)3)18-10-19(18)23(27)28/h4-9,12,18-19H,10H2,1-3H3,(H,27,28)/t18-,19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	37.7	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...				Bioorg Med Chem Lett 17: 828-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.057 BindingDB Entry DOI: 10.7270/Q22N50JV
					More data for this Ligand-Target Pair