Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50386860'   

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))	BDBM50386860 (CHEMBL2048294) Show SMILES COc1cc(cc(c1)-c1nc(no1)-c1ccc2n3CCC(CC(O)=O)c3cc2c1)C#N Show InChI InChI=1S/C23H18N4O4/c1-30-18-7-13(12-24)6-17(9-18)23-25-22(26-31-23)15-2-3-19-16(8-15)10-20-14(11-21(28)29)4-5-27(19)20/h2-3,6-10,14H,4-5,11H2,1H3,(H,28,29)	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	4.60	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay				Bioorg Med Chem Lett 22: 4404-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.129 BindingDB Entry DOI: 10.7270/Q2FJ2HVB
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