BDBM50121037 CHEMBL323704::[(S)-2-Phenyl-1-((2S,7R)-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-7-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1

InChI Key: InChIKey=VNPYOKYKSQYFRB-JQVVWYNYSA-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 = 50121037   

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 B (Homo sapiens (Human))	BDBM50121037 (CHEMBL323704 | [(S)-2-Phenyl-1-((2S,7R)-5,5,8-trio...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C23H25N3O6S/c27-20(25-19-21(28)26-12-7-13-33(30,31)22(19)26)18(14-16-8-3-1-4-9-16)24-23(29)32-15-17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2,(H,24,29)(H,25,27)/t18-,19+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Inhibitory activity of Cbz-Phe-Arg-AMC against Cathepsin B cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin L (Rattus norvegicus)	BDBM50121037 (CHEMBL323704 | [(S)-2-Phenyl-1-((2S,7R)-5,5,8-trio...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C23H25N3O6S/c27-20(25-19-21(28)26-12-7-13-33(30,31)22(19)26)18(14-16-8-3-1-4-9-16)24-23(29)32-15-17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2,(H,24,29)(H,25,27)/t18-,19+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121037 (CHEMBL323704 | [(S)-2-Phenyl-1-((2S,7R)-5,5,8-trio...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C23H25N3O6S/c27-20(25-19-21(28)26-12-7-13-33(30,31)22(19)26)18(14-16-8-3-1-4-9-16)24-23(29)32-15-17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2,(H,24,29)(H,25,27)/t18-,19+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121037 (CHEMBL323704 | [(S)-2-Phenyl-1-((2S,7R)-5,5,8-trio...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2N(CCCS2(=O)=O)C1=O)OCc1ccccc1 Show InChI InChI=1S/C23H25N3O6S/c27-20(25-19-21(28)26-12-7-13-33(30,31)22(19)26)18(14-16-8-3-1-4-9-16)24-23(29)32-15-17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2,(H,24,29)(H,25,27)/t18-,19+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.50E+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 S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair