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PubMed code 19572550

Compile data set for download or QSAR
Found 4 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
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33247
PNG
(benzenecarboximidamide, 1)
Show SMILES NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C15H16N6O/c16-13(17)9-3-1-5-11(7-9)20-15(22)21-12-6-2-4-10(8-12)14(18)19/h1-8H,(H3,16,17)(H3,18,19)(H2,20,21,22)
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UniChem

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Article
PubMed
n/an/a 2.80E+3n/an/an/an/a8.537



University of Zurich



Assay Description
Inhibitors were assayed in a 96-well plate format using enzyme conjugate WNV CF40-gly-NS3pro187, which was preincubated with various concentrations o...


J Med Chem 52: 4860-8 (2009)


Article DOI: 10.1021/jm900448m
BindingDB Entry DOI: 10.7270/Q20C4T4N
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33249
PNG
(4-nitrophenyl 4-carbamimidamidobenzoate, 2)
Show SMILES N\C([NH-])=[NH+]\c1ccc(cc1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O4/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21/h1-8H,(H4,15,16,17,19)
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PC sid
UniChem

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Article
PubMed
n/an/a 3.42E+4n/an/an/an/a8.537



University of Zurich



Assay Description
Inhibitors were assayed in a 96-well plate format using enzyme conjugate WNV CF40-gly-NS3pro187, which was preincubated with various concentrations o...


J Med Chem 52: 4860-8 (2009)


Article DOI: 10.1021/jm900448m
BindingDB Entry DOI: 10.7270/Q20C4T4N
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33247
PNG
(benzenecarboximidamide, 1)
Show SMILES NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C15H16N6O/c16-13(17)9-3-1-5-11(7-9)20-15(22)21-12-6-2-4-10(8-12)14(18)19/h1-8H,(H3,16,17)(H3,18,19)(H2,20,21,22)
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 1.50E+4n/an/an/a7.525



University of Zurich



Assay Description
Binding was also measured by a competition assay with a noncovalently bound inhibitor (Kd=4.6 uM) that quenched tryptophan fluorescence upon binding ...


J Med Chem 52: 4860-8 (2009)


Article DOI: 10.1021/jm900448m
BindingDB Entry DOI: 10.7270/Q20C4T4N
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33249
PNG
(4-nitrophenyl 4-carbamimidamidobenzoate, 2)
Show SMILES N\C([NH-])=[NH+]\c1ccc(cc1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O4/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21/h1-8H,(H4,15,16,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.60E+4n/an/an/a7.525



University of Zurich



Assay Description
Binding was also measured by a competition assay with a noncovalently bound inhibitor (Kd=4.6 uM) that quenched tryptophan fluorescence upon binding ...


J Med Chem 52: 4860-8 (2009)


Article DOI: 10.1021/jm900448m
BindingDB Entry DOI: 10.7270/Q20C4T4N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%