Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM129587'   

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))	BDBM129587 (US8802663, 102) Show SMILES OC(=O)CCNCc1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1C1CCOCC1 Show InChI InChI=1S/C26H33N5O4/c32-23(33)10-13-27-16-18-6-8-20(9-7-18)25-29-26(35-30-25)22-17-28-31(21-4-2-1-3-5-21)24(22)19-11-14-34-15-12-19/h6-9,17,19,21,27H,1-5,10-16H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-48.3	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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