Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM192131'   

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))	BDBM192131 (US9187437, 27) Show SMILES Clc1ccc(COc2ccc(cc2)-c2noc(CCC3(CCCCC3)c3ccccc3)n2)cc1 Show InChI InChI=1S/C29H29ClN2O2/c30-25-13-9-22(10-14-25)21-33-26-15-11-23(12-16-26)28-31-27(34-32-28)17-20-29(18-5-2-6-19-29)24-7-3-1-4-8-24/h1,3-4,7-16H,2,5-6,17-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	610	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 (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...				US Patent US9187437 (2015) BindingDB Entry DOI: 10.7270/Q2JH3K0X
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