Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM129578'   

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))	BDBM129578 (US8802663, 13) Show SMILES CCOC(=O)Cn1ncc(-c2nc(no2)-c2cc(F)ccc2F)c1-c1ccccc1 Show InChI InChI=1S/C21H16F2N4O3/c1-2-29-18(28)12-27-19(13-6-4-3-5-7-13)16(11-24-27)21-25-20(26-30-21)15-10-14(22)8-9-17(15)23/h3-11H,2,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	23	-40.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells wer...				US Patent US8802663 (2014) BindingDB Entry DOI: 10.7270/Q2ZC81K5
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