Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50165459'   

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))	BDBM50165459 (CHEMBL3798772) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(C=O)s1 |r| Show InChI InChI=1S/C22H25N3O6S/c1-4-14-7-15(5-13(3)20(14)30-11-16(28)8-23-19(29)10-27)21-24-22(31-25-21)17-6-12(2)18(9-26)32-17/h5-7,9,16,27-28H,4,8,10-11H2,1-3H3,(H,23,29)/t16-/m0/s1	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	26	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...				Eur J Med Chem 116: 222-238 (2016) Article DOI: 10.1016/j.ejmech.2016.03.048 BindingDB Entry DOI: 10.7270/Q2ST7RRN
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