Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50381893'   

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))	BDBM50381893 (CHEMBL2022911) Show SMILES CC[C@@H](C)Oc1ccc(cc1C)-c1cnc(s1)-c1sc(CN2CC(C2)C(O)=O)cc1CC |r| Show InChI InChI=1S/C25H30N2O3S2/c1-5-16(4)30-21-8-7-18(9-15(21)3)22-11-26-24(32-22)23-17(6-2)10-20(31-23)14-27-12-19(13-27)25(28)29/h7-11,16,19H,5-6,12-14H2,1-4H3,(H,28,29)/t16-/m1/s1	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	8	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