Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM427755'   

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))	BDBM427755 (US10544143, Example 188 | US10544143, Example 189 ...) Show SMILES CNC1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cc(OC)c2ncnn2c1 |(-8.99,2.39,;-7.67,3.16,;-6.34,2.39,;-6.34,.85,;-5,.08,;-3.67,.85,;-3.67,2.39,;-5,3.16,;-2.34,.08,;-2.34,-1.46,;-1,-2.23,;.33,-1.46,;1.8,-1.93,;2.7,-.69,;1.8,.56,;2.19,2.05,;1.11,3.14,;3.68,2.45,;.33,.08,;-1,.85,;4.24,-.69,;5.01,.65,;6.55,.65,;7.32,1.98,;8.86,1.98,;7.32,-.69,;8.83,-1.01,;8.99,-2.54,;7.58,-3.16,;6.55,-2.02,;5.01,-2.02,)| Show InChI InChI=1S/C24H30N6O/c1-14(2)21-22(16-11-20(31-4)24-26-13-27-30(24)12-16)29-19-10-9-18(28-23(19)21)15-5-7-17(25-3)8-6-15/h9-15,17,25,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	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))	BDBM427755 (US10544143, Example 188 | US10544143, Example 189 ...) Show SMILES CNC1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cc(OC)c2ncnn2c1 |(-8.99,2.39,;-7.67,3.16,;-6.34,2.39,;-6.34,.85,;-5,.08,;-3.67,.85,;-3.67,2.39,;-5,3.16,;-2.34,.08,;-2.34,-1.46,;-1,-2.23,;.33,-1.46,;1.8,-1.93,;2.7,-.69,;1.8,.56,;2.19,2.05,;1.11,3.14,;3.68,2.45,;.33,.08,;-1,.85,;4.24,-.69,;5.01,.65,;6.55,.65,;7.32,1.98,;8.86,1.98,;7.32,-.69,;8.83,-1.01,;8.99,-2.54,;7.58,-3.16,;6.55,-2.02,;5.01,-2.02,)| Show InChI InChI=1S/C24H30N6O/c1-14(2)21-22(16-11-20(31-4)24-26-13-27-30(24)12-16)29-19-10-9-18(28-23(19)21)15-5-7-17(25-3)8-6-15/h9-15,17,25,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	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 US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427755 (US10544143, Example 188 | US10544143, Example 189 ...) Show SMILES CNC1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cc(OC)c2ncnn2c1 |(-8.99,2.39,;-7.67,3.16,;-6.34,2.39,;-6.34,.85,;-5,.08,;-3.67,.85,;-3.67,2.39,;-5,3.16,;-2.34,.08,;-2.34,-1.46,;-1,-2.23,;.33,-1.46,;1.8,-1.93,;2.7,-.69,;1.8,.56,;2.19,2.05,;1.11,3.14,;3.68,2.45,;.33,.08,;-1,.85,;4.24,-.69,;5.01,.65,;6.55,.65,;7.32,1.98,;8.86,1.98,;7.32,-.69,;8.83,-1.01,;8.99,-2.54,;7.58,-3.16,;6.55,-2.02,;5.01,-2.02,)| Show InChI InChI=1S/C24H30N6O/c1-14(2)21-22(16-11-20(31-4)24-26-13-27-30(24)12-16)29-19-10-9-18(28-23(19)21)15-5-7-17(25-3)8-6-15/h9-15,17,25,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427755 (US10544143, Example 188 | US10544143, Example 189 ...) Show SMILES CNC1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cc(OC)c2ncnn2c1 |(-8.99,2.39,;-7.67,3.16,;-6.34,2.39,;-6.34,.85,;-5,.08,;-3.67,.85,;-3.67,2.39,;-5,3.16,;-2.34,.08,;-2.34,-1.46,;-1,-2.23,;.33,-1.46,;1.8,-1.93,;2.7,-.69,;1.8,.56,;2.19,2.05,;1.11,3.14,;3.68,2.45,;.33,.08,;-1,.85,;4.24,-.69,;5.01,.65,;6.55,.65,;7.32,1.98,;8.86,1.98,;7.32,-.69,;8.83,-1.01,;8.99,-2.54,;7.58,-3.16,;6.55,-2.02,;5.01,-2.02,)| Show InChI InChI=1S/C24H30N6O/c1-14(2)21-22(16-11-20(31-4)24-26-13-27-30(24)12-16)29-19-10-9-18(28-23(19)21)15-5-7-17(25-3)8-6-15/h9-15,17,25,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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 US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427755 (US10544143, Example 188 | US10544143, Example 189 ...) Show SMILES CNC1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cc(OC)c2ncnn2c1 |(-8.99,2.39,;-7.67,3.16,;-6.34,2.39,;-6.34,.85,;-5,.08,;-3.67,.85,;-3.67,2.39,;-5,3.16,;-2.34,.08,;-2.34,-1.46,;-1,-2.23,;.33,-1.46,;1.8,-1.93,;2.7,-.69,;1.8,.56,;2.19,2.05,;1.11,3.14,;3.68,2.45,;.33,.08,;-1,.85,;4.24,-.69,;5.01,.65,;6.55,.65,;7.32,1.98,;8.86,1.98,;7.32,-.69,;8.83,-1.01,;8.99,-2.54,;7.58,-3.16,;6.55,-2.02,;5.01,-2.02,)| Show InChI InChI=1S/C24H30N6O/c1-14(2)21-22(16-11-20(31-4)24-26-13-27-30(24)12-16)29-19-10-9-18(28-23(19)21)15-5-7-17(25-3)8-6-15/h9-15,17,25,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427755 (US10544143, Example 188 | US10544143, Example 189 ...) Show SMILES CNC1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cc(OC)c2ncnn2c1 |(-8.99,2.39,;-7.67,3.16,;-6.34,2.39,;-6.34,.85,;-5,.08,;-3.67,.85,;-3.67,2.39,;-5,3.16,;-2.34,.08,;-2.34,-1.46,;-1,-2.23,;.33,-1.46,;1.8,-1.93,;2.7,-.69,;1.8,.56,;2.19,2.05,;1.11,3.14,;3.68,2.45,;.33,.08,;-1,.85,;4.24,-.69,;5.01,.65,;6.55,.65,;7.32,1.98,;8.86,1.98,;7.32,-.69,;8.83,-1.01,;8.99,-2.54,;7.58,-3.16,;6.55,-2.02,;5.01,-2.02,)| Show InChI InChI=1S/C24H30N6O/c1-14(2)21-22(16-11-20(31-4)24-26-13-27-30(24)12-16)29-19-10-9-18(28-23(19)21)15-5-7-17(25-3)8-6-15/h9-15,17,25,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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