Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50248417'   

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))	BDBM50248417 (CHEMBL4076418) Show SMILES CCc1cc(-c2noc(n2)-c2cc(-c3ccccc3)n(CC)n2)c(C)[nH]c1=O Show InChI InChI=1S/C21H21N5O2/c1-4-14-11-16(13(3)22-20(14)27)19-23-21(28-25-19)17-12-18(26(5-2)24-17)15-9-7-6-8-10-15/h6-12H,4-5H2,1-3H3,(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysi...				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
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