Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50380342'   

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))	BDBM50380342 (CHEMBL2017805) Show SMILES COc1ccccc1C(=O)NC(=O)Nc1ccc(N2CCCCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H22F3N3O3/c1-30-18-8-4-3-7-15(18)19(28)26-20(29)25-14-9-10-17(16(13-14)21(22,23)24)27-11-5-2-6-12-27/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,25,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalisation after 1 hr by microscopic analysis				ACS Med Chem Lett 2: 752-757 (2011) Article DOI: 10.1021/ml2001399 BindingDB Entry DOI: 10.7270/Q21837G0
					More data for this Ligand-Target Pair