Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50136545'   

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))	BDBM50136545 (CHEMBL3753596) Show SMILES CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@H]2COC(=O)N2)cn1 |r| Show InChI InChI=1S/C22H25N5O4/c1-12(2)5-16-8-15(7-14(4)24-16)21-26-20(27-31-21)18-6-13(3)19(9-23-18)29-10-17-11-30-22(28)25-17/h6-9,12,17H,5,10-11H2,1-4H3,(H,25,28)/t17-/m0/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	63	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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