Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50420029'   

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))	BDBM50420029 (CHEMBL2032431) Show SMILES OC(=O)C1CCN(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H21F3N2O3/c27-26(28,29)21-14-18(6-8-20(21)16-4-2-1-3-5-16)24-30-22-15-19(7-9-23(22)34-24)31-12-10-17(11-13-31)25(32)33/h1-9,14-15,17H,10-13H2,(H,32,33)	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	0.631	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at SIP1 receptor by tango assay				Bioorg Med Chem Lett 22: 3973-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.095 BindingDB Entry DOI: 10.7270/Q29P32NS
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