BDBM428145 US10544143, Example 581::US10730877, Example 581

SMILES: CC(C)c1c([nH]c2cc(C)c(nc12)C1CCN(CC(=O)N(C)C)CC1)-c1cc(C)c2ncnn2c1

InChI Key: InChIKey=IMFHZSJZHVBZHQ-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 = 428145   

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))	BDBM428145 (US10544143, Example 581 | US10730877, Example 581 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCN(CC(=O)N(C)C)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C27H35N7O/c1-16(2)23-25(20-11-18(4)27-28-15-29-34(27)13-20)30-21-12-17(3)24(31-26(21)23)19-7-9-33(10-8-19)14-22(35)32(5)6/h11-13,15-16,19,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM428145 (US10544143, Example 581 | US10730877, Example 581 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCN(CC(=O)N(C)C)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C27H35N7O/c1-16(2)23-25(20-11-18(4)27-28-15-29-34(27)13-20)30-21-12-17(3)24(31-26(21)23)19-7-9-33(10-8-19)14-22(35)32(5)6/h11-13,15-16,19,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	79	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))	BDBM428145 (US10544143, Example 581 | US10730877, Example 581 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCN(CC(=O)N(C)C)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C27H35N7O/c1-16(2)23-25(20-11-18(4)27-28-15-29-34(27)13-20)30-21-12-17(3)24(31-26(21)23)19-7-9-33(10-8-19)14-22(35)32(5)6/h11-13,15-16,19,30H,7-10,14H2,1-6H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.92E+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))	BDBM428145 (US10544143, Example 581 | US10730877, Example 581 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCN(CC(=O)N(C)C)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C27H35N7O/c1-16(2)23-25(20-11-18(4)27-28-15-29-34(27)13-20)30-21-12-17(3)24(31-26(21)23)19-7-9-33(10-8-19)14-22(35)32(5)6/h11-13,15-16,19,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM428145 (US10544143, Example 581 | US10730877, Example 581 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCN(CC(=O)N(C)C)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C27H35N7O/c1-16(2)23-25(20-11-18(4)27-28-15-29-34(27)13-20)30-21-12-17(3)24(31-26(21)23)19-7-9-33(10-8-19)14-22(35)32(5)6/h11-13,15-16,19,30H,7-10,14H2,1-6H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.92E+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))	BDBM428145 (US10544143, Example 581 | US10730877, Example 581 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCN(CC(=O)N(C)C)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C27H35N7O/c1-16(2)23-25(20-11-18(4)27-28-15-29-34(27)13-20)30-21-12-17(3)24(31-26(21)23)19-7-9-33(10-8-19)14-22(35)32(5)6/h11-13,15-16,19,30H,7-10,14H2,1-6H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.92E+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))	BDBM428145 (US10544143, Example 581 | US10730877, Example 581 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCN(CC(=O)N(C)C)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C27H35N7O/c1-16(2)23-25(20-11-18(4)27-28-15-29-34(27)13-20)30-21-12-17(3)24(31-26(21)23)19-7-9-33(10-8-19)14-22(35)32(5)6/h11-13,15-16,19,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	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))	BDBM428145 (US10544143, Example 581 | US10730877, Example 581 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCN(CC(=O)N(C)C)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C27H35N7O/c1-16(2)23-25(20-11-18(4)27-28-15-29-34(27)13-20)30-21-12-17(3)24(31-26(21)23)19-7-9-33(10-8-19)14-22(35)32(5)6/h11-13,15-16,19,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	79	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))	BDBM428145 (US10544143, Example 581 | US10730877, Example 581 ...) Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCN(CC(=O)N(C)C)CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C27H35N7O/c1-16(2)23-25(20-11-18(4)27-28-15-29-34(27)13-20)30-21-12-17(3)24(31-26(21)23)19-7-9-33(10-8-19)14-22(35)32(5)6/h11-13,15-16,19,30H,7-10,14H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	79	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