BDBM50121031 CHEMBL419772::[(S)-2-Methyl-1-((5R,6S)-7-oxo-4-oxa-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-propyl]-carbamic acid benzyl ester

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O

InChI Key: InChIKey=OEGLOMHKABJFTM-JJRVBVJISA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50121031   

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
Cathepsin S (Homo sapiens (Human))	BDBM50121031 (CHEMBL419772 | [(S)-2-Methyl-1-((5R,6S)-7-oxo-4-ox...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C18H23N3O5/c1-11(2)13(20-18(24)26-10-12-6-4-3-5-7-12)15(22)19-14-16(23)21-8-9-25-17(14)21/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,19,22)(H,20,24)/t13-,14+,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	260	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121031 (CHEMBL419772 | [(S)-2-Methyl-1-((5R,6S)-7-oxo-4-ox...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C18H23N3O5/c1-11(2)13(20-18(24)26-10-12-6-4-3-5-7-12)15(22)19-14-16(23)21-8-9-25-17(14)21/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,19,22)(H,20,24)/t13-,14+,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	100	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin K cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50121031 (CHEMBL419772 | [(S)-2-Methyl-1-((5R,6S)-7-oxo-4-ox...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C18H23N3O5/c1-11(2)13(20-18(24)26-10-12-6-4-3-5-7-12)15(22)19-14-16(23)21-8-9-25-17(14)21/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,19,22)(H,20,24)/t13-,14+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin B cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin L (Rattus norvegicus)	BDBM50121031 (CHEMBL419772 | [(S)-2-Methyl-1-((5R,6S)-7-oxo-4-ox...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C18H23N3O5/c1-11(2)13(20-18(24)26-10-12-6-4-3-5-7-12)15(22)19-14-16(23)21-8-9-25-17(14)21/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,19,22)(H,20,24)/t13-,14+,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair