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SMILES: CC(C)c1c([nH]c2ccc(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1

InChI Key: InChIKey=YLWJEZJZMYJBEX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 428081   

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))	BDBM428081 (US10544143, Example 516 | US10730877, Example 516 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C22H26N6/c1-13(2)19-20(16-10-14(3)22-24-12-25-28(22)11-16)27-18-5-4-17(26-21(18)19)15-6-8-23-9-7-15/h4-5,10-13,15,23,27H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	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))	BDBM428081 (US10544143, Example 516 | US10730877, Example 516 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C22H26N6/c1-13(2)19-20(16-10-14(3)22-24-12-25-28(22)11-16)27-18-5-4-17(26-21(18)19)15-6-8-23-9-7-15/h4-5,10-13,15,23,27H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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))	BDBM428081 (US10544143, Example 516 | US10730877, Example 516 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C22H26N6/c1-13(2)19-20(16-10-14(3)22-24-12-25-28(22)11-16)27-18-5-4-17(26-21(18)19)15-6-8-23-9-7-15/h4-5,10-13,15,23,27H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	155	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))	BDBM428081 (US10544143, Example 516 | US10730877, Example 516 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C22H26N6/c1-13(2)19-20(16-10-14(3)22-24-12-25-28(22)11-16)27-18-5-4-17(26-21(18)19)15-6-8-23-9-7-15/h4-5,10-13,15,23,27H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	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))	BDBM428081 (US10544143, Example 516 | US10730877, Example 516 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C22H26N6/c1-13(2)19-20(16-10-14(3)22-24-12-25-28(22)11-16)27-18-5-4-17(26-21(18)19)15-6-8-23-9-7-15/h4-5,10-13,15,23,27H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	155	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))	BDBM428081 (US10544143, Example 516 | US10730877, Example 516 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C22H26N6/c1-13(2)19-20(16-10-14(3)22-24-12-25-28(22)11-16)27-18-5-4-17(26-21(18)19)15-6-8-23-9-7-15/h4-5,10-13,15,23,27H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	155	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))	BDBM428081 (US10544143, Example 516 | US10730877, Example 516 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C22H26N6/c1-13(2)19-20(16-10-14(3)22-24-12-25-28(22)11-16)27-18-5-4-17(26-21(18)19)15-6-8-23-9-7-15/h4-5,10-13,15,23,27H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	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))	BDBM428081 (US10544143, Example 516 | US10730877, Example 516 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C22H26N6/c1-13(2)19-20(16-10-14(3)22-24-12-25-28(22)11-16)27-18-5-4-17(26-21(18)19)15-6-8-23-9-7-15/h4-5,10-13,15,23,27H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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))	BDBM428081 (US10544143, Example 516 | US10730877, Example 516 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C22H26N6/c1-13(2)19-20(16-10-14(3)22-24-12-25-28(22)11-16)27-18-5-4-17(26-21(18)19)15-6-8-23-9-7-15/h4-5,10-13,15,23,27H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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