Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM112688'   

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))	BDBM112688 (US8629282, 68) Show SMILES O[C@@H]1[C@@H](COc2cc(ccc12)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1)NCC(O)=O Show InChI InChI=1S/C23H17F3N4O6/c24-23(25,26)17-18(11-4-2-1-3-5-11)29-35-20(17)22-28-21(30-36-22)12-6-7-13-15(8-12)34-10-14(19(13)33)27-9-16(31)32/h1-8,14,19,27,33H,9-10H2,(H,31,32)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	7.5	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA ...				US Patent US8629282 (2014) BindingDB Entry DOI: 10.7270/Q28914JD
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