Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50420020'   

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))	BDBM50420020 (CHEMBL2032312) Show SMILES OC(=O)CCCCCc1cnc2oc(nc2c1)-c1cc(c(s1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C23H19F3N2O3S/c24-23(25,26)20-16(15-8-4-2-5-9-15)12-18(32-20)22-28-17-11-14(13-27-21(17)31-22)7-3-1-6-10-19(29)30/h2,4-5,8-9,11-13H,1,3,6-7,10H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at SIP1 receptor by tango assay				Bioorg Med Chem Lett 22: 3973-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.095 BindingDB Entry DOI: 10.7270/Q29P32NS
					More data for this Ligand-Target Pair