BDBM273781 US10071079, Example 567

SMILES: COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CC1)C1CC(C1)[N+]#[C-]

InChI Key: InChIKey=FMXFOXKLQRJKLR-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 273781   

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))	BDBM273781 (US10071079, Example 567) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CC1)C1CC(C1)[N+]#[C-] |(10.48,.67,;8.94,.67,;8.17,-.67,;6.63,-.67,;5.86,-2,;6.63,-3.33,;8.17,-3.33,;9.2,-4.48,;10.61,-3.85,;10.45,-2.32,;8.94,-2,;4.32,-2,;3.41,-3.25,;1.95,-2.77,;.62,-3.54,;-.72,-2.77,;-.72,-1.23,;.62,-.46,;1.95,-1.23,;3.41,-.75,;3.81,.73,;2.72,1.82,;5.3,1.13,;-2.05,-.46,;-3.39,-1.23,;-4.72,-.46,;-4.72,1.08,;-3.39,1.85,;-2.05,1.08,;-6.05,1.85,;-6.45,3.34,;-7.96,2.95,;-7.54,1.45,;-9.29,3.72,;-10.63,4.49,)| Show InChI InChI=1S/C28H32N6O/c1-17(2)26-23-11-19(18-7-9-33(10-8-18)22-13-21(14-22)29-3)5-6-24(23)32-27(26)20-12-25(35-4)28-30-16-31-34(28)15-20/h5-6,11-12,15-18,21-22,32H,7-10,13-14H2,1-2,4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
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 US10071079 (2018) BindingDB Entry DOI: 10.7270/Q2VD71GV
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM273781 (US10071079, Example 567) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CC1)C1CC(C1)[N+]#[C-] |(10.48,.67,;8.94,.67,;8.17,-.67,;6.63,-.67,;5.86,-2,;6.63,-3.33,;8.17,-3.33,;9.2,-4.48,;10.61,-3.85,;10.45,-2.32,;8.94,-2,;4.32,-2,;3.41,-3.25,;1.95,-2.77,;.62,-3.54,;-.72,-2.77,;-.72,-1.23,;.62,-.46,;1.95,-1.23,;3.41,-.75,;3.81,.73,;2.72,1.82,;5.3,1.13,;-2.05,-.46,;-3.39,-1.23,;-4.72,-.46,;-4.72,1.08,;-3.39,1.85,;-2.05,1.08,;-6.05,1.85,;-6.45,3.34,;-7.96,2.95,;-7.54,1.45,;-9.29,3.72,;-10.63,4.49,)| Show InChI InChI=1S/C28H32N6O/c1-17(2)26-23-11-19(18-7-9-33(10-8-18)22-13-21(14-22)29-3)5-6-24(23)32-27(26)20-12-25(35-4)28-30-16-31-34(28)15-20/h5-6,11-12,15-18,21-22,32H,7-10,13-14H2,1-2,4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	25
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 US10071079 (2018) BindingDB Entry DOI: 10.7270/Q2VD71GV
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM273781 (US10071079, Example 567) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CC1)C1CC(C1)[N+]#[C-] |(10.48,.67,;8.94,.67,;8.17,-.67,;6.63,-.67,;5.86,-2,;6.63,-3.33,;8.17,-3.33,;9.2,-4.48,;10.61,-3.85,;10.45,-2.32,;8.94,-2,;4.32,-2,;3.41,-3.25,;1.95,-2.77,;.62,-3.54,;-.72,-2.77,;-.72,-1.23,;.62,-.46,;1.95,-1.23,;3.41,-.75,;3.81,.73,;2.72,1.82,;5.3,1.13,;-2.05,-.46,;-3.39,-1.23,;-4.72,-.46,;-4.72,1.08,;-3.39,1.85,;-2.05,1.08,;-6.05,1.85,;-6.45,3.34,;-7.96,2.95,;-7.54,1.45,;-9.29,3.72,;-10.63,4.49,)| Show InChI InChI=1S/C28H32N6O/c1-17(2)26-23-11-19(18-7-9-33(10-8-18)22-13-21(14-22)29-3)5-6-24(23)32-27(26)20-12-25(35-4)28-30-16-31-34(28)15-20/h5-6,11-12,15-18,21-22,32H,7-10,13-14H2,1-2,4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
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 US10071079 (2018) BindingDB Entry DOI: 10.7270/Q2VD71GV
					More data for this Ligand-Target Pair