Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50361887'   

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))	BDBM50361887 (CHEMBL1938933) Show SMILES CC1SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F Show InChI InChI=1S/C23H22FN3O3S2/c1-13-27(6-7-31-13)22(28)15-3-5-19-20(9-15)32-21(25-19)17-4-2-14(8-18(17)24)10-26-11-16(12-26)23(29)30/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,29,30)	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	42	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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