Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50380344'   

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))	BDBM50380344 (CHEMBL2017807) Show SMILES COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(C)C Show InChI InChI=1S/C24H24N2O3/c1-16(2)21-15-18(13-14-19(21)17-9-5-4-6-10-17)25-24(28)26-23(27)20-11-7-8-12-22(20)29-3/h4-16H,1-3H3,(H2,25,26,27,28)	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	5.40	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
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