Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM427744'   

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))	BDBM427744 (US10544143, Example 177 | US10544143, Example 179) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N(C)C |(8.86,1.21,;7.32,1.21,;6.55,-.12,;5.01,-.12,;4.24,-1.46,;5.01,-2.79,;6.55,-2.79,;7.58,-3.93,;8.99,-3.31,;8.83,-1.78,;7.32,-1.46,;2.7,-1.46,;1.8,-2.7,;.33,-2.23,;-1,-3,;-2.34,-2.23,;-2.34,-.69,;-1,.08,;.33,-.69,;1.8,-.21,;2.19,1.28,;1.11,2.37,;3.68,1.68,;-3.67,.08,;-5,-.69,;-6.34,.08,;-6.34,1.62,;-5,2.39,;-3.67,1.62,;-7.67,2.39,;-7.67,3.93,;-8.99,1.62,)| Show InChI InChI=1S/C25H32N6O/c1-15(2)22-23(17-12-21(32-5)25-26-14-27-31(25)13-17)29-20-11-10-19(28-24(20)22)16-6-8-18(9-7-16)30(3)4/h10-16,18,29H,6-9H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427744 (US10544143, Example 177 | US10544143, Example 179) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N(C)C |(8.86,1.21,;7.32,1.21,;6.55,-.12,;5.01,-.12,;4.24,-1.46,;5.01,-2.79,;6.55,-2.79,;7.58,-3.93,;8.99,-3.31,;8.83,-1.78,;7.32,-1.46,;2.7,-1.46,;1.8,-2.7,;.33,-2.23,;-1,-3,;-2.34,-2.23,;-2.34,-.69,;-1,.08,;.33,-.69,;1.8,-.21,;2.19,1.28,;1.11,2.37,;3.68,1.68,;-3.67,.08,;-5,-.69,;-6.34,.08,;-6.34,1.62,;-5,2.39,;-3.67,1.62,;-7.67,2.39,;-7.67,3.93,;-8.99,1.62,)| Show InChI InChI=1S/C25H32N6O/c1-15(2)22-23(17-12-21(32-5)25-26-14-27-31(25)13-17)29-20-11-10-19(28-24(20)22)16-6-8-18(9-7-16)30(3)4/h10-16,18,29H,6-9H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					More data for this Ligand-Target Pair