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SMILES: CCOC(=O)NNC(=O)C(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C

InChI Key: InChIKey=CCIRNXXUWFWJAR-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50118412   
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
Papain


(Carica papaya)
BDBM50118412
PNG
(Boc-Agly-Val-Agly-OEt | CHEMBL135413)
Show SMILES CCOC(=O)NNC(=O)C(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C19H36N4O6/c1-9-28-18(27)23-22-16(25)14(12(4)5)21-15(24)13(10-11(2)3)20-17(26)29-19(6,7)8/h11-14H,9-10H2,1-8H3,(H,20,26)(H,21,24)(H,22,25)(H,23,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
24n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50118412
PNG
(Boc-Agly-Val-Agly-OEt | CHEMBL135413)
Show SMILES CCOC(=O)NNC(=O)C(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C19H36N4O6/c1-9-28-18(27)23-22-16(25)14(12(4)5)21-15(24)13(10-11(2)3)20-17(26)29-19(6,7)8/h11-14H,9-10H2,1-8H3,(H,20,26)(H,21,24)(H,22,25)(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
61n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
Inhibition of Human Cathepsin K


J Med Chem 45: 4202-11 (2002)


BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair