Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50136553'   

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))	BDBM50136553 (CHEMBL3753479) Show SMILES CC(C)Cc1cc(nc(C)n1)-c1nc(no1)-c1ccc(O[C@@H]2CCC(=O)NC2)c(F)c1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-12(2)8-15-10-18(26-13(3)25-15)22-27-21(28-31-22)14-4-6-19(17(23)9-14)30-16-5-7-20(29)24-11-16/h4,6,9-10,12,16H,5,7-8,11H2,1-3H3,(H,24,29)/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	50	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...				Bioorg Med Chem Lett 26: 466-71 (2016) Article DOI: 10.1016/j.bmcl.2015.11.090 BindingDB Entry DOI: 10.7270/Q2GX4DD4
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