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SMILES: CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)NC

InChI Key: InChIKey=IHUKVJKKTBLTEE-QMMMGPOBSA-N

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 = 81343   
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
Chitotriosidase-1


(Homo sapiens (Human))
BDBM81343
PNG
(Monopeptide)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)NC |r,w:7.7|
Show InChI InChI=1S/C11H22N6O3/c1-7(18)16-8(9(19)13-2)5-4-6-15-10(12)17-11(20)14-3/h8H,4-6H2,1-3H3,(H,13,19)(H,16,18)(H4,12,14,15,17,20)/t8-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+6n/an/an/an/a5.5n/a



University of Dundee



Assay Description
Inhibition of argifin and other peptide derivatives against AfchiB1 and hCHT.


Chem Biol 15: 295-301 (2008)


Article DOI: 10.1016/j.chembiol.2008.02.015
BindingDB Entry DOI: 10.7270/Q2JH3JN1
More data for this
Ligand-Target Pair
Endochitinase B1


(Aspergillus fumigatus)
BDBM81343
PNG
(Monopeptide)
Show SMILES CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)NC |r,w:7.7|
Show InChI InChI=1S/C11H22N6O3/c1-7(18)16-8(9(19)13-2)5-4-6-15-10(12)17-11(20)14-3/h8H,4-6H2,1-3H3,(H,13,19)(H,16,18)(H4,12,14,15,17,20)/t8-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem
MMDB
Article
PubMed
n/an/a 8.10E+4n/an/an/an/a5.5n/a



University of Dundee



Assay Description
Inhibition of argifin and other peptide derivatives against AfchiB1 and hCHT.


Chem Biol 15: 295-301 (2008)


Article DOI: 10.1016/j.chembiol.2008.02.015
BindingDB Entry DOI: 10.7270/Q2JH3JN1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)