Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50149579'   

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))	BDBM50149579 (CHEMBL3771026) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)N1CCC(CC1)N1CCCC(C1)C(O)=O Show InChI InChI=1S/C22H29ClN4O3S/c1-14(2)30-19-6-5-15(12-18(19)23)20-24-25-22(31-20)26-10-7-17(8-11-26)27-9-3-4-16(13-27)21(28)29/h5-6,12,14,16-17H,3-4,7-11,13H2,1-2H3,(H,28,29)	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	3.98E+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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