Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50149577'   

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))	BDBM50149577 (CHEMBL3769494) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(NC2CCN(CC(O)=O)CC2)s1 Show InChI InChI=1S/C18H23ClN4O3S/c1-11(2)26-15-4-3-12(9-14(15)19)17-21-22-18(27-17)20-13-5-7-23(8-6-13)10-16(24)25/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,20,22)(H,24,25)	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	2.51E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay				J Med Chem 59: 1003-20 (2016) Article DOI: 10.1021/acs.jmedchem.5b01512 BindingDB Entry DOI: 10.7270/Q2KP842C
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