Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50381895'   

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 1 (Homo sapiens (Human))	BDBM50381895 (CHEMBL2022913) Show SMILES CCc1nc(CN2CC(C2)C(O)=O)ccc1-c1ncc(s1)-c1ccc(OC(C)C)c(C)c1 Show InChI InChI=1S/C25H29N3O3S/c1-5-21-20(8-7-19(27-21)14-28-12-18(13-28)25(29)30)24-26-11-23(32-24)17-6-9-22(16(4)10-17)31-15(2)3/h6-11,15,18H,5,12-14H2,1-4H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 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