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Compile Data Set for Download or QSAR

Found 5 hits of kd for UniProtKB: P06935   
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
Genome polyprotein [1424-1463]/[1502-1685]


(West Nile virus (WNV))
BDBM33253
PNG
(phthalazine-based compound, 4)
Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc4CCNCc4c3)c3ccccc23)cc1 |c:2|
Show InChI InChI=1S/C26H25N7/c1-2-4-23-22(3-1)25(30-20-8-6-18(7-9-20)24-28-13-14-29-24)32-33-26(23)31-21-10-5-17-11-12-27-16-19(17)15-21/h1-10,15,27H,11-14,16H2,(H,28,29)(H,30,32)(H,31,33)
PDB
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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 5.20E+3 4.60E+3n/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Anal Biochem 395: 195-204 (2009)


Article DOI: 10.1016/j.ab.2009.08.013
BindingDB Entry DOI: 10.7270/Q2VM49MW
More data for this
Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685]


(West Nile virus (WNV))
BDBM33255
PNG
(phthalazine-based compound, 6)
Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc4CNCCc4c3)c3ccccc23)cc1 |c:2|
Show InChI InChI=1S/C26H25N7/c1-2-4-23-22(3-1)25(30-20-8-5-17(6-9-20)24-28-13-14-29-24)32-33-26(23)31-21-10-7-19-16-27-12-11-18(19)15-21/h1-10,15,27H,11-14,16H2,(H,28,29)(H,30,32)(H,31,33)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20E+3 7.00E+3n/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Anal Biochem 395: 195-204 (2009)


Article DOI: 10.1016/j.ab.2009.08.013
BindingDB Entry DOI: 10.7270/Q2VM49MW
More data for this
Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685]


(West Nile virus (WNV))
BDBM33250
PNG
(phthalazine-based compound, 1)
Show SMILES CC1CNC(=N1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC(C)CN3)c3ccccc23)cc1 |c:4,t:24|
Show InChI InChI=1S/C28H28N8/c1-17-15-29-25(31-17)19-7-11-21(12-8-19)33-27-23-5-3-4-6-24(23)28(36-35-27)34-22-13-9-20(10-14-22)26-30-16-18(2)32-26/h3-14,17-18H,15-16H2,1-2H3,(H,29,31)(H,30,32)(H,33,35)(H,34,36)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a 2.45E+4 2.10E+4n/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Anal Biochem 395: 195-204 (2009)


Article DOI: 10.1016/j.ab.2009.08.013
BindingDB Entry DOI: 10.7270/Q2VM49MW
More data for this
Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685]


(West Nile virus (WNV))
BDBM33252
PNG
(phthalazine-based compound, 3)
Show SMILES C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1 |c:4,t:28|
Show InChI InChI=1S/C34H36N8/c1-2-8-26-25(7-1)33(35-23-17-13-21(14-18-23)31-37-27-9-3-4-10-28(27)38-31)41-42-34(26)36-24-19-15-22(16-20-24)32-39-29-11-5-6-12-30(29)40-32/h1-2,7-8,13-20,27-30H,3-6,9-12H2,(H,35,41)(H,36,42)(H,37,38)(H,39,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+4 9.00E+4n/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Anal Biochem 395: 195-204 (2009)


Article DOI: 10.1016/j.ab.2009.08.013
BindingDB Entry DOI: 10.7270/Q2VM49MW
More data for this
Ligand-Target Pair
Genome polyprotein [1424-1463]/[1502-1685]


(West Nile virus (WNV))
BDBM33254
PNG
(phthalazine-based compound, 5)
Show SMILES NCc1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:19|
Show InChI InChI=1S/C24H23N7/c25-15-16-5-9-18(10-6-16)28-23-20-3-1-2-4-21(20)24(31-30-23)29-19-11-7-17(8-12-19)22-26-13-14-27-22/h1-12H,13-15,25H2,(H,26,27)(H,28,30)(H,29,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.06E+4 1.00E+5n/an/an/a7.537



Novartis Institute for Tropical Diseases



Assay Description
Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min....


Anal Biochem 395: 195-204 (2009)


Article DOI: 10.1016/j.ab.2009.08.013
BindingDB Entry DOI: 10.7270/Q2VM49MW
More data for this
Ligand-Target Pair