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SMILES: COc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1

InChI Key: InChIKey=RUCOQCQFEYHVOI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 443111   

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))	BDBM443111 (US10660877, Example 46) Show SMILES COc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C23H29N3O/c1-14(2)22-19-12-17(16-7-9-24-10-8-16)5-6-20(19)26-23(22)18-11-15(3)25-21(13-18)27-4/h5-6,11-14,16,24,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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 US10660877 (2020) BindingDB Entry DOI: 10.7270/Q24M97K0
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM443111 (US10660877, Example 46) Show SMILES COc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C23H29N3O/c1-14(2)22-19-12-17(16-7-9-24-10-8-16)5-6-20(19)26-23(22)18-11-15(3)25-21(13-18)27-4/h5-6,11-14,16,24,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	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 US10660877 (2020) BindingDB Entry DOI: 10.7270/Q24M97K0
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM443111 (US10660877, Example 46) Show SMILES COc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C23H29N3O/c1-14(2)22-19-12-17(16-7-9-24-10-8-16)5-6-20(19)26-23(22)18-11-15(3)25-21(13-18)27-4/h5-6,11-14,16,24,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00049 BindingDB Entry DOI: 10.7270/Q2JH3R6P
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM443111 (US10660877, Example 46) Show SMILES COc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C23H29N3O/c1-14(2)22-19-12-17(16-7-9-24-10-8-16)5-6-20(19)26-23(22)18-11-15(3)25-21(13-18)27-4/h5-6,11-14,16,24,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00049 BindingDB Entry DOI: 10.7270/Q2JH3R6P
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM443111 (US10660877, Example 46) Show SMILES COc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C23H29N3O/c1-14(2)22-19-12-17(16-7-9-24-10-8-16)5-6-20(19)26-23(22)18-11-15(3)25-21(13-18)27-4/h5-6,11-14,16,24,26H,7-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.35E+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 US10660877 (2020) BindingDB Entry DOI: 10.7270/Q24M97K0
					More data for this Ligand-Target Pair