null

SMILES: NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1

InChI Key: InChIKey=OXENNQILLFXVQW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 453307   

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)	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	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))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+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))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.41E+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 K (Homo sapiens (Human))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.02E+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
Procathepsin L (Homo sapiens (Human))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.53E+3	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
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	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))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	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+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 B (Homo sapiens (Human))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	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+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
Procathepsin L (Homo sapiens (Human))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	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+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))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	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+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
Lys-gingipain (Porphyromonas gingivalis)	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.30	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))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.96E+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))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.41E+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 K (Homo sapiens (Human))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.02E+4	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))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.53E+3	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)	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.30	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))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+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 B (Homo sapiens (Human))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+4	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))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+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 B (Homo sapiens (Human))	BDBM453307 (US10730826, Compound 7a | US11325884, Compound 7a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1 Show InChI InChI=1S/C19H27FN2O3/c20-15-8-5-9-16(12-15)25-13-18(23)17(10-3-4-11-21)22-19(24)14-6-1-2-7-14/h5,8-9,12,14,17H,1-4,6-7,10-11,13,21H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.96E+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