Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50186411'   

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))	BDBM50186411 (3-(4-(5-(3-cyano-4-(2-fluoroethoxy)phenyl)-1,3,4-t...) Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCCF)c(c1)C#N Show InChI InChI=1S/C21H18FN3O3S/c1-13-10-14(3-7-19(26)27)2-5-17(13)21-25-24-20(29-21)15-4-6-18(28-9-8-22)16(11-15)12-23/h2,4-6,10-11H,3,7-9H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding				Bioorg Med Chem Lett 16: 3684-7 (2006) Article DOI: 10.1016/j.bmcl.2006.04.064 BindingDB Entry DOI: 10.7270/Q2HD7V7J
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