Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50069641'   

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))	BDBM50069641 (CHEMBL3402528) Show SMILES CCn1c(C)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H21ClN4O2S/c1-3-24-14(2)21-22-19(24)18(13-15-7-5-4-6-8-15)23-27(25,26)17-11-9-16(20)10-12-17/h4-12,18,23H,3,13H2,1-2H3	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	460	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arres...				Bioorg Med Chem Lett 25: 2041-5 (2015) Article DOI: 10.1016/j.bmcl.2015.03.095 BindingDB Entry DOI: 10.7270/Q22F7Q3D
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