Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50381896'   

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))	BDBM50381896 (CHEMBL2022914) Show SMILES CCc1cc(ccc1OC(C)C)-c1cnc(s1)-c1ccc(CN2CC(C2)C(O)=O)nc1CC Show InChI InChI=1S/C26H31N3O3S/c1-5-17-11-18(7-10-23(17)32-16(3)4)24-12-27-25(33-24)21-9-8-20(28-22(21)6-2)15-29-13-19(14-29)26(30)31/h7-12,16,19H,5-6,13-15H2,1-4H3,(H,30,31)	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	4	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