null

SMILES: CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(c1)C1CC1

InChI Key: InChIKey=KYTNVRKIVDPRDJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 443890   

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))	BDBM443890 (2-(2-cyclopropyl-6-methylpyridin-4-yl)-3-isopropyl...) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(c1)C1CC1 Show InChI InChI=1S/C25H31N3/c1-15(2)24-21-13-19(17-8-10-26-11-9-17)6-7-22(21)28-25(24)20-12-16(3)27-23(14-20)18-4-5-18/h6-7,12-15,17-18,26,28H,4-5,8-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	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))	BDBM443890 (2-(2-cyclopropyl-6-methylpyridin-4-yl)-3-isopropyl...) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(c1)C1CC1 Show InChI InChI=1S/C25H31N3/c1-15(2)24-21-13-19(17-8-10-26-11-9-17)6-7-22(21)28-25(24)20-12-16(3)27-23(14-20)18-4-5-18/h6-7,12-15,17-18,26,28H,4-5,8-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46.4	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))	BDBM443890 (2-(2-cyclopropyl-6-methylpyridin-4-yl)-3-isopropyl...) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(c1)C1CC1 Show InChI InChI=1S/C25H31N3/c1-15(2)24-21-13-19(17-8-10-26-11-9-17)6-7-22(21)28-25(24)20-12-16(3)27-23(14-20)18-4-5-18/h6-7,12-15,17-18,26,28H,4-5,8-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	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))	BDBM443890 (2-(2-cyclopropyl-6-methylpyridin-4-yl)-3-isopropyl...) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(c1)C1CC1 Show InChI InChI=1S/C25H31N3/c1-15(2)24-21-13-19(17-8-10-26-11-9-17)6-7-22(21)28-25(24)20-12-16(3)27-23(14-20)18-4-5-18/h6-7,12-15,17-18,26,28H,4-5,8-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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))	BDBM443890 (2-(2-cyclopropyl-6-methylpyridin-4-yl)-3-isopropyl...) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(c1)C1CC1 Show InChI InChI=1S/C25H31N3/c1-15(2)24-21-13-19(17-8-10-26-11-9-17)6-7-22(21)28-25(24)20-12-16(3)27-23(14-20)18-4-5-18/h6-7,12-15,17-18,26,28H,4-5,8-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.33E+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