Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM450133'   

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
Toll-like receptor 7 (Homo sapiens (Human))	BDBM450133 (US10703755, Example 316) Show SMILES CCOc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3ccc(C4CN5CCC4CC5)c(c3)C#N)c2n1 |(-8.05,3.35,;-8.57,1.91,;-7.39,.92,;-6.06,1.69,;-6.06,3.23,;-4.73,4,;-4.73,5.54,;-3.39,3.23,;-1.93,3.7,;-1.02,2.46,;.52,2.46,;1.29,1.12,;2.83,1.12,;3.6,2.46,;2.83,3.79,;3.6,5.12,;1.29,3.79,;-1.93,1.21,;-1.53,-.28,;-.04,-.68,;1.05,.41,;2.53,.01,;2.93,-1.47,;4.42,-1.87,;4.82,-3.36,;6.31,-3.76,;7.39,-2.67,;7,-1.18,;5.51,-.78,;5.29,-2.27,;6.52,-2.27,;1.86,-2.61,;.36,-2.16,;2.26,-4.1,;2.65,-5.59,;-3.39,1.69,;-4.73,.92,)| Show InChI InChI=1S/C28H28FN7O/c1-3-37-28-32-17(2)25-27(34-28)36(26(33-25)21-11-22(29)14-31-13-21)15-18-4-5-23(20(10-18)12-30)24-16-35-8-6-19(24)7-9-35/h4-5,10-11,13-14,19,24H,3,6-9,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description As human TLR7 expressing cell line, HEK293 cell line was bought from IMGENEX Corporation (TLR7/NF-ηB/SEAPorter™ HEK293 cell), which is human emb...				US Patent US10703755 (2020) BindingDB Entry DOI: 10.7270/Q28W3HBW
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