null

SMILES: COc1cc(ccn1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1

InChI Key: InChIKey=KAGSPINYGPNPCN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 443897   

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))	BDBM443897 (3-isopropyl-2-(2-methoxypyridin-4-yl)-5-(piperidin...) Show SMILES COc1cc(ccn1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C22H27N3O/c1-14(2)21-18-12-16(15-6-9-23-10-7-15)4-5-19(18)25-22(21)17-8-11-24-20(13-17)26-3/h4-5,8,11-15,23,25H,6-7,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.8	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))	BDBM443897 (3-isopropyl-2-(2-methoxypyridin-4-yl)-5-(piperidin...) Show SMILES COc1cc(ccn1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C22H27N3O/c1-14(2)21-18-12-16(15-6-9-23-10-7-15)4-5-19(18)25-22(21)17-8-11-24-20(13-17)26-3/h4-5,8,11-15,23,25H,6-7,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34.8	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))	BDBM443897 (3-isopropyl-2-(2-methoxypyridin-4-yl)-5-(piperidin...) Show SMILES COc1cc(ccn1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C22H27N3O/c1-14(2)21-18-12-16(15-6-9-23-10-7-15)4-5-19(18)25-22(21)17-8-11-24-20(13-17)26-3/h4-5,8,11-15,23,25H,6-7,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	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))	BDBM443897 (3-isopropyl-2-(2-methoxypyridin-4-yl)-5-(piperidin...) Show SMILES COc1cc(ccn1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C22H27N3O/c1-14(2)21-18-12-16(15-6-9-23-10-7-15)4-5-19(18)25-22(21)17-8-11-24-20(13-17)26-3/h4-5,8,11-15,23,25H,6-7,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	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))	BDBM443897 (3-isopropyl-2-(2-methoxypyridin-4-yl)-5-(piperidin...) Show SMILES COc1cc(ccn1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1 Show InChI InChI=1S/C22H27N3O/c1-14(2)21-18-12-16(15-6-9-23-10-7-15)4-5-19(18)25-22(21)17-8-11-24-20(13-17)26-3/h4-5,8,11-15,23,25H,6-7,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.04E+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