Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM129606'   

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))	BDBM129606 (US8802663, 147) Show SMILES COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1cccc(c1)C(=O)NCCC(O)=O Show InChI InChI=1S/C23H27N5O5/c1-32-14-19-18(13-25-28(19)17-8-3-2-4-9-17)23-26-21(27-33-23)15-6-5-7-16(12-15)22(31)24-11-10-20(29)30/h5-7,12-13,17H,2-4,8-11,14H2,1H3,(H,24,31)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	257	-35.0	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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