Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50198831'   

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))	BDBM50198831 (CHEMBL228138 | [3-amino-4-(3-octylphenylamino)-but...) Show SMILES CCCCCCCCc1cccc(NC[C@H](N)CCP(O)(O)=O)c1 Show InChI InChI=1S/C18H33N2O3P/c1-2-3-4-5-6-7-9-16-10-8-11-18(14-16)20-15-17(19)12-13-24(21,22)23/h8,10-11,14,17,20H,2-7,9,12-13,15,19H2,1H3,(H2,21,22,23)/t17-/m1/s1	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	30	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 15: 663-77 (2006) Article DOI: 10.1016/j.bmc.2006.10.060 BindingDB Entry DOI: 10.7270/Q2FN15VV
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