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SMILES: CC(C)c1c([nH]c2cc(C)c(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1

InChI Key: InChIKey=JPNQTKSRCYBFJQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 428090   

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))	BDBM428090 (US10544143, Example 525 | US10730877, Example 525 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C23H28N6/c1-13(2)19-21(17-9-15(4)23-25-12-26-29(23)11-17)27-18-10-14(3)20(28-22(18)19)16-5-7-24-8-6-16/h9-13,16,24,27H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	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))	BDBM428090 (US10544143, Example 525 | US10730877, Example 525 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C23H28N6/c1-13(2)19-21(17-9-15(4)23-25-12-26-29(23)11-17)27-18-10-14(3)20(28-22(18)19)16-5-7-24-8-6-16/h9-13,16,24,27H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48	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))	BDBM428090 (US10544143, Example 525 | US10730877, Example 525 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C23H28N6/c1-13(2)19-21(17-9-15(4)23-25-12-26-29(23)11-17)27-18-10-14(3)20(28-22(18)19)16-5-7-24-8-6-16/h9-13,16,24,27H,5-8H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	771	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))	BDBM428090 (US10544143, Example 525 | US10730877, Example 525 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C23H28N6/c1-13(2)19-21(17-9-15(4)23-25-12-26-29(23)11-17)27-18-10-14(3)20(28-22(18)19)16-5-7-24-8-6-16/h9-13,16,24,27H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	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)
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM428090 (US10544143, Example 525 | US10730877, Example 525 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C23H28N6/c1-13(2)19-21(17-9-15(4)23-25-12-26-29(23)11-17)27-18-10-14(3)20(28-22(18)19)16-5-7-24-8-6-16/h9-13,16,24,27H,5-8H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	771	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM428090 (US10544143, Example 525 | US10730877, Example 525 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C23H28N6/c1-13(2)19-21(17-9-15(4)23-25-12-26-29(23)11-17)27-18-10-14(3)20(28-22(18)19)16-5-7-24-8-6-16/h9-13,16,24,27H,5-8H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	771	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)
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM428090 (US10544143, Example 525 | US10730877, Example 525 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C23H28N6/c1-13(2)19-21(17-9-15(4)23-25-12-26-29(23)11-17)27-18-10-14(3)20(28-22(18)19)16-5-7-24-8-6-16/h9-13,16,24,27H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM428090 (US10544143, Example 525 | US10730877, Example 525 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C23H28N6/c1-13(2)19-21(17-9-15(4)23-25-12-26-29(23)11-17)27-18-10-14(3)20(28-22(18)19)16-5-7-24-8-6-16/h9-13,16,24,27H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM428090 (US10544143, Example 525 | US10730877, Example 525 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C23H28N6/c1-13(2)19-21(17-9-15(4)23-25-12-26-29(23)11-17)27-18-10-14(3)20(28-22(18)19)16-5-7-24-8-6-16/h9-13,16,24,27H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48	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)
					More data for this Ligand-Target Pair