Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM130386'   

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))	BDBM130386 (US8822510, 4) Show SMILES Cc1cc(cc(C)c1OC[C@@H](O)CO)-c1noc(CCC2(CCCCC2)c2ccc(F)cc2)n1 Show InChI InChI=1S/C27H33FN2O4/c1-18-14-20(15-19(2)25(18)33-17-23(32)16-31)26-29-24(34-30-26)10-13-27(11-4-3-5-12-27)21-6-8-22(28)9-7-21/h6-9,14-15,23,31-32H,3-5,10-13,16-17H2,1-2H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
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