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PubMed code 20063996

Compile data set for download or QSAR
Found 12 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
Plasmepsin 2


(Plasmodium falciparum)
BDBM233139
PNG
(2-Nitrobenzohydrazide | Mr-I-53b)
Show SMILES NNC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM233141
PNG
(1,2-Diphenylhydrazine | Mr-II-10)
Show SMILES N(Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM233138
PNG
(Butanohydrazide | Mr-I-33)
Show SMILES CCCC(=O)NN
Show InChI InChI=1S/C4H10N2O/c1-2-3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM233139
PNG
(2-Nitrobenzohydrazide | Mr-I-53b)
Show SMILES NNC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM233140
PNG
(2-Nitrobenzohydrazide | Mr-I-179)
Show SMILES NNC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)
PDB
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PC cid
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UniChem
Article
PubMed
n/an/a 1.35E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM233138
PNG
(Butanohydrazide | Mr-I-33)
Show SMILES CCCC(=O)NN
Show InChI InChI=1S/C4H10N2O/c1-2-3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM233142
PNG
(1,2-Dipyridinylhydrazine | Mr-II-80)
Show SMILES N(Nc1ccncc1)c1ccncc1
Show InChI InChI=1S/C10H10N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H,(H,11,13)(H,12,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50001676
PNG
(CHEMBL3237776 | Mr-I-27)
Show SMILES COc1ccccc1C(=O)NN
Show InChI InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
PDB
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM233140
PNG
(2-Nitrobenzohydrazide | Mr-I-179)
Show SMILES NNC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50001676
PNG
(CHEMBL3237776 | Mr-I-27)
Show SMILES COc1ccccc1C(=O)NN
Show InChI InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM233141
PNG
(1,2-Diphenylhydrazine | Mr-II-10)
Show SMILES N(Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM233142
PNG
(1,2-Dipyridinylhydrazine | Mr-II-80)
Show SMILES N(Nc1ccncc1)c1ccncc1
Show InChI InChI=1S/C10H10N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H,(H,11,13)(H,12,14)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



University of Karachi



Assay Description
The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...


J Enzyme Inhib Med Chem 25: 673-8 (2010)


Article DOI: 10.3109/14756360903508430
BindingDB Entry DOI: 10.7270/Q29885WX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%