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BDBM36325 Cathepsin Inhibitor III

SMILES: COc1ccc(cc1)C(=O)ONC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=MWMGBOYXKWUFNQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 36325   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin B


(Rattus norvegicus)
BDBM36325
PNG
(Cathepsin Inhibitor III)
Show SMILES COc1ccc(cc1)C(=O)ONC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O7/c1-35-22-14-12-21(13-15-22)26(33)37-30-24(31)17-28-25(32)23(16-19-8-4-2-5-9-19)29-27(34)36-18-20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H,28,32)(H,29,34)(H,30,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin H


(Rattus norvegicus)
BDBM36325
PNG
(Cathepsin Inhibitor III)
Show SMILES COc1ccc(cc1)C(=O)ONC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O7/c1-35-22-14-12-21(13-15-22)26(33)37-30-24(31)17-28-25(32)23(16-19-8-4-2-5-9-19)29-27(34)36-18-20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H,28,32)(H,29,34)(H,30,31)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Cathepsin Z


(Rattus norvegicus)
BDBM36325
PNG
(Cathepsin Inhibitor III)
Show SMILES COc1ccc(cc1)C(=O)ONC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O7/c1-35-22-14-12-21(13-15-22)26(33)37-30-24(31)17-28-25(32)23(16-19-8-4-2-5-9-19)29-27(34)36-18-20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H,28,32)(H,29,34)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair