Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM453307'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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) BindingDB Entry DOI: 10.7270/Q2QR5158
					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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of cathepsins B, H, K, L, and S were measured in similar assays. Boc-Leu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of cathepsins B, H, K, L, and S were measured in similar assays. Boc-Leu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					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) BindingDB Entry DOI: 10.7270/Q2QR5158
					More data for this Ligand-Target Pair