BDBM428148 US10544143, Example 584::US10730877, Example 584

SMILES: COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC(=O)N(C)C)CC1

InChI Key: InChIKey=MLUQABGTAXMAHN-UHFFFAOYSA-N

Data: 6 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 = 428148   

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))	BDBM428148 (US10544143, Example 584 | US10730877, Example 584 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C27H35N7O2/c1-16(2)23-25(19-12-21(36-6)27-28-15-29-34(27)13-19)30-20-11-17(3)24(31-26(20)23)18-7-9-33(10-8-18)14-22(35)32(4)5/h11-13,15-16,18,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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))	BDBM428148 (US10544143, Example 584 | US10730877, Example 584 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C27H35N7O2/c1-16(2)23-25(19-12-21(36-6)27-28-15-29-34(27)13-19)30-20-11-17(3)24(31-26(20)23)18-7-9-33(10-8-18)14-22(35)32(4)5/h11-13,15-16,18,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	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))	BDBM428148 (US10544143, Example 584 | US10730877, Example 584 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C27H35N7O2/c1-16(2)23-25(19-12-21(36-6)27-28-15-29-34(27)13-19)30-20-11-17(3)24(31-26(20)23)18-7-9-33(10-8-18)14-22(35)32(4)5/h11-13,15-16,18,30H,7-10,14H2,1-6H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.01E+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))	BDBM428148 (US10544143, Example 584 | US10730877, Example 584 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C27H35N7O2/c1-16(2)23-25(19-12-21(36-6)27-28-15-29-34(27)13-19)30-20-11-17(3)24(31-26(20)23)18-7-9-33(10-8-18)14-22(35)32(4)5/h11-13,15-16,18,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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))	BDBM428148 (US10544143, Example 584 | US10730877, Example 584 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C27H35N7O2/c1-16(2)23-25(19-12-21(36-6)27-28-15-29-34(27)13-19)30-20-11-17(3)24(31-26(20)23)18-7-9-33(10-8-18)14-22(35)32(4)5/h11-13,15-16,18,30H,7-10,14H2,1-6H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.01E+3	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))	BDBM428148 (US10544143, Example 584 | US10730877, Example 584 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C27H35N7O2/c1-16(2)23-25(19-12-21(36-6)27-28-15-29-34(27)13-19)30-20-11-17(3)24(31-26(20)23)18-7-9-33(10-8-18)14-22(35)32(4)5/h11-13,15-16,18,30H,7-10,14H2,1-6H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.01E+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)
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM428148 (US10544143, Example 584 | US10730877, Example 584 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C27H35N7O2/c1-16(2)23-25(19-12-21(36-6)27-28-15-29-34(27)13-19)30-20-11-17(3)24(31-26(20)23)18-7-9-33(10-8-18)14-22(35)32(4)5/h11-13,15-16,18,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.240	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))	BDBM428148 (US10544143, Example 584 | US10730877, Example 584 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C27H35N7O2/c1-16(2)23-25(19-12-21(36-6)27-28-15-29-34(27)13-19)30-20-11-17(3)24(31-26(20)23)18-7-9-33(10-8-18)14-22(35)32(4)5/h11-13,15-16,18,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	29	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))	BDBM428148 (US10544143, Example 584 | US10730877, Example 584 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC(=O)N(C)C)CC1 Show InChI InChI=1S/C27H35N7O2/c1-16(2)23-25(19-12-21(36-6)27-28-15-29-34(27)13-19)30-20-11-17(3)24(31-26(20)23)18-7-9-33(10-8-18)14-22(35)32(4)5/h11-13,15-16,18,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	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