Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 367.3 BDBM50121913

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

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 S (Homo sapiens (Human))	BDBM50121913 (CHEMBL281518 | [(S)-1-((R)-2-Oxo-azetidin-3-ylcarb...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CNC1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O4/c24-18-17(12-21-18)22-19(25)16(11-14-7-3-1-4-8-14)23-20(26)27-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,24)(H,22,25)(H,23,26)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin S				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121913 (CHEMBL281518 | [(S)-1-((R)-2-Oxo-azetidin-3-ylcarb...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CNC1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O4/c24-18-17(12-21-18)22-19(25)16(11-14-7-3-1-4-8-14)23-20(26)27-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,24)(H,22,25)(H,23,26)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin K				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Cathepsin B (Rattus norvegicus)	BDBM50121913 (CHEMBL281518 | [(S)-1-((R)-2-Oxo-azetidin-3-ylcarb...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CNC1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O4/c24-18-17(12-21-18)22-19(25)16(11-14-7-3-1-4-8-14)23-20(26)27-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,24)(H,22,25)(H,23,26)/t16-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Cathepsin B				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50121913 (CHEMBL281518 | [(S)-1-((R)-2-Oxo-azetidin-3-ylcarb...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CNC1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O4/c24-18-17(12-21-18)22-19(25)16(11-14-7-3-1-4-8-14)23-20(26)27-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,24)(H,22,25)(H,23,26)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin L				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50121913 (CHEMBL281518 | [(S)-1-((R)-2-Oxo-azetidin-3-ylcarb...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CNC1=O)OCc1ccccc1 Show InChI InChI=1S/C20H21N3O4/c24-18-17(12-21-18)22-19(25)16(11-14-7-3-1-4-8-14)23-20(26)27-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,24)(H,22,25)(H,23,26)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase(HLE)				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair