Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM130396'   

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))	BDBM130396 (US8822510, 98) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(CCCC3(CCCCC3)c3ccc(Cl)cc3)n2)C1 Show InChI InChI=1S/C28H32ClN3O3/c29-24-12-10-23(11-13-24)28(14-2-1-3-15-28)16-4-5-25-30-26(31-35-25)21-8-6-20(7-9-21)17-32-18-22(19-32)27(33)34/h6-13,22H,1-5,14-19H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.540	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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