null

SMILES: NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1

InChI Key: InChIKey=YVQMMISELLTZSJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 453308   

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
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453308 (US10730826, Compound 8a | US11325884, Compound 8a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H26F2N2O3/c20-14-9-15(21)11-16(10-14)26-12-18(24)17(7-3-4-8-22)23-19(25)13-5-1-2-6-13/h9-11,13,17H,1-8,12,22H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
CORTEXYME, INC. US Patent					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain were measured in a fluorogenic assay similar to thos...				US Patent US10730826 (2020)
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM453308 (US10730826, Compound 8a | US11325884, Compound 8a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H26F2N2O3/c20-14-9-15(21)11-16(10-14)26-12-18(24)17(7-3-4-8-22)23-19(25)13-5-1-2-6-13/h9-11,13,17H,1-8,12,22H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
CORTEXYME, INC. US Patent					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain were measured in a fluorogenic assay similar to thos...				US Patent US10730826 (2020)
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM453308 (US10730826, Compound 8a | US11325884, Compound 8a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H26F2N2O3/c20-14-9-15(21)11-16(10-14)26-12-18(24)17(7-3-4-8-22)23-19(25)13-5-1-2-6-13/h9-11,13,17H,1-8,12,22H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CORTEXYME, INC. US Patent					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain were measured in a fluorogenic assay similar to thos...				US Patent US10730826 (2020)
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM453308 (US10730826, Compound 8a | US11325884, Compound 8a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H26F2N2O3/c20-14-9-15(21)11-16(10-14)26-12-18(24)17(7-3-4-8-22)23-19(25)13-5-1-2-6-13/h9-11,13,17H,1-8,12,22H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CORTEXYME, INC. US Patent					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain were measured in a fluorogenic assay similar to thos...				US Patent US10730826 (2020)
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM453308 (US10730826, Compound 8a | US11325884, Compound 8a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H26F2N2O3/c20-14-9-15(21)11-16(10-14)26-12-18(24)17(7-3-4-8-22)23-19(25)13-5-1-2-6-13/h9-11,13,17H,1-8,12,22H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Lys-gingipain (Porphyromonas gingivalis)	BDBM453308 (US10730826, Compound 8a | US11325884, Compound 8a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H26F2N2O3/c20-14-9-15(21)11-16(10-14)26-12-18(24)17(7-3-4-8-22)23-19(25)13-5-1-2-6-13/h9-11,13,17H,1-8,12,22H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM453308 (US10730826, Compound 8a | US11325884, Compound 8a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H26F2N2O3/c20-14-9-15(21)11-16(10-14)26-12-18(24)17(7-3-4-8-22)23-19(25)13-5-1-2-6-13/h9-11,13,17H,1-8,12,22H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM453308 (US10730826, Compound 8a | US11325884, Compound 8a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H26F2N2O3/c20-14-9-15(21)11-16(10-14)26-12-18(24)17(7-3-4-8-22)23-19(25)13-5-1-2-6-13/h9-11,13,17H,1-8,12,22H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM453308 (US10730826, Compound 8a | US11325884, Compound 8a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H26F2N2O3/c20-14-9-15(21)11-16(10-14)26-12-18(24)17(7-3-4-8-22)23-19(25)13-5-1-2-6-13/h9-11,13,17H,1-8,12,22H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM453308 (US10730826, Compound 8a | US11325884, Compound 8a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H26F2N2O3/c20-14-9-15(21)11-16(10-14)26-12-18(24)17(7-3-4-8-22)23-19(25)13-5-1-2-6-13/h9-11,13,17H,1-8,12,22H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CORTEXYME, INC. US Patent					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain were measured in a fluorogenic assay similar to thos...				US Patent US10730826 (2020)
					More data for this Ligand-Target Pair