Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM264712'   

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))	BDBM264712 (US9718771, 6-5) Show SMILES CCN([C@H](C)c1cccc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C22H27ClN2O2/c1-4-25(20-8-9-21(23)15(2)10-20)16(3)18-7-5-6-17(11-18)12-24-13-19(14-24)22(26)27/h5-11,16,19H,4,12-14H2,1-3H3,(H,26,27)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction st...				US Patent US9718771 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JSV
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