Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM450174'   

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))	BDBM450174 (US10703755, Example 372) Show SMILES CCOc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3ccc(cc3OC)C3CN4CCC3CC4)c2n1 |(-8.05,2.46,;-8.57,1.02,;-7.39,.03,;-6.06,.8,;-6.06,2.34,;-4.73,3.11,;-4.73,4.65,;-3.39,2.34,;-1.93,2.81,;-1.02,1.57,;.52,1.57,;1.29,.23,;2.83,.23,;3.6,1.57,;2.83,2.9,;3.6,4.23,;1.29,2.9,;-1.93,.32,;-1.53,-1.17,;-.04,-1.57,;1.05,-.48,;2.53,-.87,;2.93,-2.36,;1.84,-3.45,;.36,-3.05,;-.73,-4.14,;-2.13,-3.49,;4.42,-2.76,;4.82,-4.25,;6.31,-4.65,;7.39,-3.56,;7,-2.07,;5.51,-1.67,;5.51,-3.21,;6.38,-3.21,;-3.39,.8,;-4.73,.03,)| Show InChI InChI=1S/C28H31FN6O2/c1-4-37-28-31-17(2)25-27(33-28)35(26(32-25)21-11-22(29)14-30-13-21)15-20-6-5-19(12-24(20)36-3)23-16-34-9-7-18(23)8-10-34/h5-6,11-14,18,23H,4,7-10,15-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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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