Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Major surface glycoprotein G' and Ligand = 'BDBM195072'   

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
Major surface glycoprotein G (Human respiratory syncytial virus A (strain Long))	BDBM195072 (US9670211, 14-2 ) Show SMILES O[C@H]1C[C@@H](C1)n1c(CN2C(=O)C3(CC3)c3ccncc23)nc2cc(Cl)ccc12 |r,wU:3.5,wD:1.0,(.71,6.09,;.31,4.61,;-1.02,3.84,;-.25,2.5,;1.08,3.27,;-.65,1.01,;.25,-.23,;1.79,-.23,;2.56,-1.57,;4.1,-1.57,;4.87,-.23,;4.58,-3.03,;5.35,-4.36,;6.12,-3.03,;3.33,-3.94,;3.17,-5.47,;1.76,-6.09,;.52,-5.19,;.68,-3.66,;2.09,-3.03,;-.65,-1.48,;-2.12,-1,;-3.45,-1.77,;-4.78,-1,;-6.12,-1.77,;-4.78,.54,;-3.45,1.31,;-2.12,.54,)| Show InChI InChI=1S/C21H19ClN4O2/c22-12-1-2-17-16(7-12)24-19(26(17)13-8-14(27)9-13)11-25-18-10-23-6-3-15(18)21(4-5-21)20(25)28/h1-3,6-7,10,13-14,27H,4-5,8-9,11H2/t13-,14-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description To measure anti-RSV activity of compounds, 96-well plates are seeded with 6×103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...				US Patent US9670211 (2017) BindingDB Entry DOI: 10.7270/Q2C827GQ
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