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SMILES: CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cc(C)c2ncnn2c1

InChI Key: InChIKey=BZHFQZSDBKDURY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 428112   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM428112 (US10544143, Example 547 | US10730877, Example 547 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3	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 8 (Homo sapiens (Human))	BDBM428112 (US10544143, Example 547 | US10730877, Example 547 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	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 9 (Homo sapiens (Human))	BDBM428112 (US10544143, Example 547 | US10730877, Example 547 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	789	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))	BDBM428112 (US10544143, Example 547 | US10730877, Example 547 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3	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 9 (Homo sapiens (Human))	BDBM428112 (US10544143, Example 547 | US10730877, Example 547 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	789	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 9 (Homo sapiens (Human))	BDBM428112 (US10544143, Example 547 | US10730877, Example 547 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	789	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))	BDBM428112 (US10544143, Example 547 | US10730877, Example 547 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3	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 8 (Homo sapiens (Human))	BDBM428112 (US10544143, Example 547 | US10730877, Example 547 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	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 8 (Homo sapiens (Human))	BDBM428112 (US10544143, Example 547 | US10730877, Example 547 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	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