BDBM50121029 CHEMBL116910::[(S)-((5R,6S)-7-Oxo-4-oxa-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-phenyl-methyl]-carbamic acid benzyl ester

SMILES: O=C(N[C@H](C(=O)N[C@H]1[C@H]2OCCN2C1=O)c1ccccc1)OCc1ccccc1

InChI Key: InChIKey=BBJVIAIAOLNUIM-SQGPQFPESA-N

Data: 2 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 2 hits for monomerid = 50121029   

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 L (Rattus norvegicus)	BDBM50121029 (CHEMBL116910 | [(S)-((5R,6S)-7-Oxo-4-oxa-1-aza-bic...) Show SMILES O=C(N[C@H](C(=O)N[C@H]1[C@H]2OCCN2C1=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C21H21N3O5/c25-18(22-17-19(26)24-11-12-28-20(17)24)16(15-9-5-2-6-10-15)23-21(27)29-13-14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2,(H,22,25)(H,23,27)/t16-,17+,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.83E+3	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
Cathepsin B (Homo sapiens (Human))	BDBM50121029 (CHEMBL116910 | [(S)-((5R,6S)-7-Oxo-4-oxa-1-aza-bic...) Show SMILES O=C(N[C@H](C(=O)N[C@H]1[C@H]2OCCN2C1=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C21H21N3O5/c25-18(22-17-19(26)24-11-12-28-20(17)24)16(15-9-5-2-6-10-15)23-21(27)29-13-14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2,(H,22,25)(H,23,27)/t16-,17+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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