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SMILES: CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12

InChI Key: InChIKey=AVORCCZLLRXOOK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 427618   

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))	BDBM427618 (US10544143, Example 53 | US10730877, Example 53 | ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12 Show InChI InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	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))	BDBM427618 (US10544143, Example 53 | US10730877, Example 53 | ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12 Show InChI InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	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))	BDBM427618 (US10544143, Example 53 | US10730877, Example 53 | ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12 Show InChI InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.99E+3	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))	BDBM427618 (US10544143, Example 53 | US10730877, Example 53 | ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12 Show InChI InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	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))	BDBM427618 (US10544143, Example 53 | US10730877, Example 53 | ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12 Show InChI InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.99E+3	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))	BDBM427618 (US10544143, Example 53 | US10730877, Example 53 | ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12 Show InChI InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.99E+3	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))	BDBM427618 (US10544143, Example 53 | US10730877, Example 53 | ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12 Show InChI InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	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))	BDBM427618 (US10544143, Example 53 | US10730877, Example 53 | ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12 Show InChI InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	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))	BDBM427618 (US10544143, Example 53 | US10730877, Example 53 | ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12 Show InChI InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	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