Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50357768'   

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))	BDBM50357768 (CHEMBL1916405) Show SMILES OC(=O)CCCCn1cc2cc(ccc2n1)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H16F6N4O3/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)20-29-19(31-35-20)12-4-5-17-14(7-12)11-32(30-17)6-2-1-3-18(33)34/h4-5,7-11H,1-3,6H2,(H,33,34)	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	4.20	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...				Bioorg Med Chem Lett 21: 6013-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.110 BindingDB Entry DOI: 10.7270/Q24T6JSB
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