Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50336951'   

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))	BDBM50336951 (1-((4-(5-(2,4-Difluorobenzyl)benzo[d]thiazol-2-yl)...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5F)ccc4s3)c(F)c2)C1 Show InChI InChI=1S/C25H19F3N2O2S/c26-18-4-3-16(20(27)10-18)7-14-2-6-23-22(9-14)29-24(33-23)19-5-1-15(8-21(19)28)11-30-12-17(13-30)25(31)32/h1-6,8-10,17H,7,11-13H2,(H,31,32)	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	42	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr				ACS Med Chem Lett 2: 102-106 (2011) Article DOI: 10.1021/ml100228m BindingDB Entry DOI: 10.7270/Q2T72HR9
					More data for this Ligand-Target Pair