Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50186400'   

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))	BDBM50186400 (3-(4-(5-(3-cyano-4-fluorophenyl)-1,3,4-thiadiazol-...) Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(F)c(c1)C#N Show InChI InChI=1S/C19H14FN3O2S/c1-11-8-12(3-7-17(24)25)2-5-15(11)19-23-22-18(26-19)13-4-6-16(20)14(9-13)10-21/h2,4-6,8-9H,3,7H2,1H3,(H,24,25)	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	570	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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