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BDBM50298266 CHEMBL574273::N-(1-(Hydroxyamino)-5-(3-nitroguanidino)-1-oxopentan-2-yl)-3,4-dimethoxybenzamide

SMILES: COc1ccc(cc1OC)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO

InChI Key: InChIKey=JCXXZCMREHBFLC-JTQLQIEISA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50298266   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50298266
PNG
(CHEMBL574273 | N-(1-(Hydroxyamino)-5-(3-nitroguani...)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:20.21|
Show InChI InChI=1S/C15H22N6O7/c1-27-11-6-5-9(8-12(11)28-2)13(22)18-10(14(23)20-24)4-3-7-17-15(16)19-21(25)26/h5-6,8,10,24H,3-4,7H2,1-2H3,(H,18,22)(H,20,23)(H3,16,17,19)/t10-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.46E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 17: 4666-73 (2009)


Article DOI: 10.1016/j.bmc.2009.04.056
BindingDB Entry DOI: 10.7270/Q2D21XN3
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50298266
PNG
(CHEMBL574273 | N-(1-(Hydroxyamino)-5-(3-nitroguani...)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:20.21|
Show InChI InChI=1S/C15H22N6O7/c1-27-11-6-5-9(8-12(11)28-2)13(22)18-10(14(23)20-24)4-3-7-17-15(16)19-21(25)26/h5-6,8,10,24H,3-4,7H2,1-2H3,(H,18,22)(H,20,23)(H3,16,17,19)/t10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.69E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N in pig kidney microsome by spectrophotometry


Bioorg Med Chem 17: 4666-73 (2009)


Article DOI: 10.1016/j.bmc.2009.04.056
BindingDB Entry DOI: 10.7270/Q2D21XN3
More data for this
Ligand-Target Pair