Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM427913'   

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))	BDBM427913 (US10544143, Example 347 | US10544143, Example 348 ...) Show SMILES CNC1CCC(CC1)c1nc2c(C(C)C)c([nH]c2cc1F)-c1cc(OC)c2ncnn2c1 |(-9,2.39,;-7.66,3.16,;-6.33,2.39,;-6.33,.85,;-5,.08,;-3.66,.85,;-3.66,2.39,;-5,3.16,;-2.33,.08,;-.99,.85,;.34,.08,;1.8,.56,;2.2,2.05,;1.11,3.14,;3.69,2.45,;2.71,-.69,;1.8,-1.93,;.34,-1.46,;-.99,-2.23,;-2.33,-1.46,;-3.66,-2.23,;4.25,-.69,;5.02,.65,;6.56,.65,;7.33,1.98,;8.87,1.98,;7.33,-.69,;8.84,-1.01,;9,-2.54,;7.59,-3.16,;6.56,-2.02,;5.02,-2.02,)| Show InChI InChI=1S/C24H29FN6O/c1-13(2)20-22(15-9-19(32-4)24-27-12-28-31(24)11-15)29-18-10-17(25)21(30-23(18)20)14-5-7-16(26-3)8-6-14/h9-14,16,26,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	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))	BDBM427913 (US10544143, Example 347 | US10544143, Example 348 ...) Show SMILES CNC1CCC(CC1)c1nc2c(C(C)C)c([nH]c2cc1F)-c1cc(OC)c2ncnn2c1 |(-9,2.39,;-7.66,3.16,;-6.33,2.39,;-6.33,.85,;-5,.08,;-3.66,.85,;-3.66,2.39,;-5,3.16,;-2.33,.08,;-.99,.85,;.34,.08,;1.8,.56,;2.2,2.05,;1.11,3.14,;3.69,2.45,;2.71,-.69,;1.8,-1.93,;.34,-1.46,;-.99,-2.23,;-2.33,-1.46,;-3.66,-2.23,;4.25,-.69,;5.02,.65,;6.56,.65,;7.33,1.98,;8.87,1.98,;7.33,-.69,;8.84,-1.01,;9,-2.54,;7.59,-3.16,;6.56,-2.02,;5.02,-2.02,)| Show InChI InChI=1S/C24H29FN6O/c1-13(2)20-22(15-9-19(32-4)24-27-12-28-31(24)11-15)29-18-10-17(25)21(30-23(18)20)14-5-7-16(26-3)8-6-14/h9-14,16,26,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	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))	BDBM427913 (US10544143, Example 347 | US10544143, Example 348 ...) Show SMILES CNC1CCC(CC1)c1nc2c(C(C)C)c([nH]c2cc1F)-c1cc(OC)c2ncnn2c1 |(-9,2.39,;-7.66,3.16,;-6.33,2.39,;-6.33,.85,;-5,.08,;-3.66,.85,;-3.66,2.39,;-5,3.16,;-2.33,.08,;-.99,.85,;.34,.08,;1.8,.56,;2.2,2.05,;1.11,3.14,;3.69,2.45,;2.71,-.69,;1.8,-1.93,;.34,-1.46,;-.99,-2.23,;-2.33,-1.46,;-3.66,-2.23,;4.25,-.69,;5.02,.65,;6.56,.65,;7.33,1.98,;8.87,1.98,;7.33,-.69,;8.84,-1.01,;9,-2.54,;7.59,-3.16,;6.56,-2.02,;5.02,-2.02,)| Show InChI InChI=1S/C24H29FN6O/c1-13(2)20-22(15-9-19(32-4)24-27-12-28-31(24)11-15)29-18-10-17(25)21(30-23(18)20)14-5-7-16(26-3)8-6-14/h9-14,16,26,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	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))	BDBM427913 (US10544143, Example 347 | US10544143, Example 348 ...) Show SMILES CNC1CCC(CC1)c1nc2c(C(C)C)c([nH]c2cc1F)-c1cc(OC)c2ncnn2c1 |(-9,2.39,;-7.66,3.16,;-6.33,2.39,;-6.33,.85,;-5,.08,;-3.66,.85,;-3.66,2.39,;-5,3.16,;-2.33,.08,;-.99,.85,;.34,.08,;1.8,.56,;2.2,2.05,;1.11,3.14,;3.69,2.45,;2.71,-.69,;1.8,-1.93,;.34,-1.46,;-.99,-2.23,;-2.33,-1.46,;-3.66,-2.23,;4.25,-.69,;5.02,.65,;6.56,.65,;7.33,1.98,;8.87,1.98,;7.33,-.69,;8.84,-1.01,;9,-2.54,;7.59,-3.16,;6.56,-2.02,;5.02,-2.02,)| Show InChI InChI=1S/C24H29FN6O/c1-13(2)20-22(15-9-19(32-4)24-27-12-28-31(24)11-15)29-18-10-17(25)21(30-23(18)20)14-5-7-16(26-3)8-6-14/h9-14,16,26,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.820	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))	BDBM427913 (US10544143, Example 347 | US10544143, Example 348 ...) Show SMILES CNC1CCC(CC1)c1nc2c(C(C)C)c([nH]c2cc1F)-c1cc(OC)c2ncnn2c1 |(-9,2.39,;-7.66,3.16,;-6.33,2.39,;-6.33,.85,;-5,.08,;-3.66,.85,;-3.66,2.39,;-5,3.16,;-2.33,.08,;-.99,.85,;.34,.08,;1.8,.56,;2.2,2.05,;1.11,3.14,;3.69,2.45,;2.71,-.69,;1.8,-1.93,;.34,-1.46,;-.99,-2.23,;-2.33,-1.46,;-3.66,-2.23,;4.25,-.69,;5.02,.65,;6.56,.65,;7.33,1.98,;8.87,1.98,;7.33,-.69,;8.84,-1.01,;9,-2.54,;7.59,-3.16,;6.56,-2.02,;5.02,-2.02,)| Show InChI InChI=1S/C24H29FN6O/c1-13(2)20-22(15-9-19(32-4)24-27-12-28-31(24)11-15)29-18-10-17(25)21(30-23(18)20)14-5-7-16(26-3)8-6-14/h9-14,16,26,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.820	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))	BDBM427913 (US10544143, Example 347 | US10544143, Example 348 ...) Show SMILES CNC1CCC(CC1)c1nc2c(C(C)C)c([nH]c2cc1F)-c1cc(OC)c2ncnn2c1 |(-9,2.39,;-7.66,3.16,;-6.33,2.39,;-6.33,.85,;-5,.08,;-3.66,.85,;-3.66,2.39,;-5,3.16,;-2.33,.08,;-.99,.85,;.34,.08,;1.8,.56,;2.2,2.05,;1.11,3.14,;3.69,2.45,;2.71,-.69,;1.8,-1.93,;.34,-1.46,;-.99,-2.23,;-2.33,-1.46,;-3.66,-2.23,;4.25,-.69,;5.02,.65,;6.56,.65,;7.33,1.98,;8.87,1.98,;7.33,-.69,;8.84,-1.01,;9,-2.54,;7.59,-3.16,;6.56,-2.02,;5.02,-2.02,)| Show InChI InChI=1S/C24H29FN6O/c1-13(2)20-22(15-9-19(32-4)24-27-12-28-31(24)11-15)29-18-10-17(25)21(30-23(18)20)14-5-7-16(26-3)8-6-14/h9-14,16,26,29H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.820	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