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PubMed code 15582436

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aminopeptidase N


(Homo sapiens (Human))
BDBM50157325
PNG
(CHEMBL182879 | N-Hydroxy-2-(naphthalen-2-ylsulfany...)
Show SMILES ONC(=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C12H11NO2S/c14-12(13-15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)
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3.50E+3n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity towards aminopeptidase N


Bioorg Med Chem Lett 15: 181-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.010
BindingDB Entry DOI: 10.7270/Q2BG2PRF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-2 expressed in Sf9 insect cells


Bioorg Med Chem Lett 15: 181-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.010
BindingDB Entry DOI: 10.7270/Q2BG2PRF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-9 expressed in Sf9 insect cells


Bioorg Med Chem Lett 15: 181-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.010
BindingDB Entry DOI: 10.7270/Q2BG2PRF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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PubMed
n/an/a 47n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-14 expressed in Escherichia coli


Bioorg Med Chem Lett 15: 181-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.010
BindingDB Entry DOI: 10.7270/Q2BG2PRF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50157325
PNG
(CHEMBL182879 | N-Hydroxy-2-(naphthalen-2-ylsulfany...)
Show SMILES ONC(=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C12H11NO2S/c14-12(13-15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aminopeptidase N


Bioorg Med Chem Lett 15: 181-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.010
BindingDB Entry DOI: 10.7270/Q2BG2PRF
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibitory concentration against aminopeptidase N


Bioorg Med Chem Lett 15: 181-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.010
BindingDB Entry DOI: 10.7270/Q2BG2PRF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytosol aminopeptidase


(Homo sapiens (Human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibitory concentration against adipocyte-derived leucine aminopeptidase


Bioorg Med Chem Lett 15: 181-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.010
BindingDB Entry DOI: 10.7270/Q2BG2PRF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%