BDBM273470 US10071079, Example 253::US10071079, Example 263::US10478424, Example 263

SMILES: COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CCS(C)(=O)=O)CC1

InChI Key: InChIKey=NUQAIASJLIEKCI-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 273470   

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))	BDBM273470 (US10071079, Example 253 | US10071079, Example 263 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CCS(C)(=O)=O)CC1 Show InChI InChI=1S/C26H33N5O3S/c1-17(2)24-21-13-19(18-7-9-30(10-8-18)11-12-35(4,32)33)5-6-22(21)29-25(24)20-14-23(34-3)26-27-16-28-31(26)15-20/h5-6,13-18,29H,7-12H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM273470 (US10071079, Example 253 | US10071079, Example 263 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CCS(C)(=O)=O)CC1 Show InChI InChI=1S/C26H33N5O3S/c1-17(2)24-21-13-19(18-7-9-30(10-8-18)11-12-35(4,32)33)5-6-22(21)29-25(24)20-14-23(34-3)26-27-16-28-31(26)15-20/h5-6,13-18,29H,7-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.6	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))	BDBM273470 (US10071079, Example 253 | US10071079, Example 263 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CCS(C)(=O)=O)CC1 Show InChI InChI=1S/C26H33N5O3S/c1-17(2)24-21-13-19(18-7-9-30(10-8-18)11-12-35(4,32)33)5-6-22(21)29-25(24)20-14-23(34-3)26-27-16-28-31(26)15-20/h5-6,13-18,29H,7-12H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+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 7 (Homo sapiens (Human))	BDBM273470 (US10071079, Example 253 | US10071079, Example 263 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CCS(C)(=O)=O)CC1 Show InChI InChI=1S/C26H33N5O3S/c1-17(2)24-21-13-19(18-7-9-30(10-8-18)11-12-35(4,32)33)5-6-22(21)29-25(24)20-14-23(34-3)26-27-16-28-31(26)15-20/h5-6,13-18,29H,7-12H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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))	BDBM273470 (US10071079, Example 253 | US10071079, Example 263 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CCS(C)(=O)=O)CC1 Show InChI InChI=1S/C26H33N5O3S/c1-17(2)24-21-13-19(18-7-9-30(10-8-18)11-12-35(4,32)33)5-6-22(21)29-25(24)20-14-23(34-3)26-27-16-28-31(26)15-20/h5-6,13-18,29H,7-12H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30E+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 US10478424 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2DB0
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM273470 (US10071079, Example 253 | US10071079, Example 263 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CCS(C)(=O)=O)CC1 Show InChI InChI=1S/C26H33N5O3S/c1-17(2)24-21-13-19(18-7-9-30(10-8-18)11-12-35(4,32)33)5-6-22(21)29-25(24)20-14-23(34-3)26-27-16-28-31(26)15-20/h5-6,13-18,29H,7-12H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30E+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 7 (Homo sapiens (Human))	BDBM273470 (US10071079, Example 253 | US10071079, Example 263 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CCS(C)(=O)=O)CC1 Show InChI InChI=1S/C26H33N5O3S/c1-17(2)24-21-13-19(18-7-9-30(10-8-18)11-12-35(4,32)33)5-6-22(21)29-25(24)20-14-23(34-3)26-27-16-28-31(26)15-20/h5-6,13-18,29H,7-12H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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 US10478424 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2DB0
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM273470 (US10071079, Example 253 | US10071079, Example 263 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CCS(C)(=O)=O)CC1 Show InChI InChI=1S/C26H33N5O3S/c1-17(2)24-21-13-19(18-7-9-30(10-8-18)11-12-35(4,32)33)5-6-22(21)29-25(24)20-14-23(34-3)26-27-16-28-31(26)15-20/h5-6,13-18,29H,7-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	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 US10478424 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2DB0
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM273470 (US10071079, Example 253 | US10071079, Example 263 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CCS(C)(=O)=O)CC1 Show InChI InChI=1S/C26H33N5O3S/c1-17(2)24-21-13-19(18-7-9-30(10-8-18)11-12-35(4,32)33)5-6-22(21)29-25(24)20-14-23(34-3)26-27-16-28-31(26)15-20/h5-6,13-18,29H,7-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	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