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SMILES: CC(C)c1c([nH]c2cc(C)c(cc12)C1CCNCC1)-c1ccnc(C)c1

InChI Key: InChIKey=JYTJDXWOLBKZIK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 443498   

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))	BDBM443498 (US10660877, Example 75) Show SMILES CC(C)c1c([nH]c2cc(C)c(cc12)C1CCNCC1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H29N3/c1-14(2)22-20-13-19(17-5-8-24-9-6-17)15(3)11-21(20)26-23(22)18-7-10-25-16(4)12-18/h7,10-14,17,24,26H,5-6,8-9H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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))	BDBM443498 (US10660877, Example 75) Show SMILES CC(C)c1c([nH]c2cc(C)c(cc12)C1CCNCC1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H29N3/c1-14(2)22-20-13-19(17-5-8-24-9-6-17)15(3)11-21(20)26-23(22)18-7-10-25-16(4)12-18/h7,10-14,17,24,26H,5-6,8-9H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	97.1	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))	BDBM443498 (US10660877, Example 75) Show SMILES CC(C)c1c([nH]c2cc(C)c(cc12)C1CCNCC1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H29N3/c1-14(2)22-20-13-19(17-5-8-24-9-6-17)15(3)11-21(20)26-23(22)18-7-10-25-16(4)12-18/h7,10-14,17,24,26H,5-6,8-9H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	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))	BDBM443498 (US10660877, Example 75) Show SMILES CC(C)c1c([nH]c2cc(C)c(cc12)C1CCNCC1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H29N3/c1-14(2)22-20-13-19(17-5-8-24-9-6-17)15(3)11-21(20)26-23(22)18-7-10-25-16(4)12-18/h7,10-14,17,24,26H,5-6,8-9H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	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))	BDBM443498 (US10660877, Example 75) Show SMILES CC(C)c1c([nH]c2cc(C)c(cc12)C1CCNCC1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H29N3/c1-14(2)22-20-13-19(17-5-8-24-9-6-17)15(3)11-21(20)26-23(22)18-7-10-25-16(4)12-18/h7,10-14,17,24,26H,5-6,8-9H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	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