Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50361889'   

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))	BDBM50361889 (CHEMBL1938935) Show SMILES CC(C)C1SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F Show InChI InChI=1S/C25H26FN3O3S2/c1-14(2)24-29(7-8-33-24)23(30)16-4-6-20-21(10-16)34-22(27-20)18-5-3-15(9-19(18)26)11-28-12-17(13-28)25(31)32/h3-6,9-10,14,17,24H,7-8,11-13H2,1-2H3,(H,31,32)	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	49	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...				Bioorg Med Chem Lett 22: 628-33 (2011) Article DOI: 10.1016/j.bmcl.2011.10.069 BindingDB Entry DOI: 10.7270/Q2T72HW3
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