Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM506618'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM506618 ((3-amino-1-(4-octylbenzyl)-2-oxopyrrolidin-3-yl)me...) Show SMILES CCCCCCCCc1ccc(CN2CCC(N)(COP(O)(O)=O)C2=O)cc1 Show InChI InChI=1S/C20H33N2O5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)15-22-14-13-20(21,19(22)23)16-27-28(24,25)26/h9-12H,2-8,13-16,21H2,1H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1×109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...				US Patent US11046646 (2021)
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