BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with Target = 'West Nile Virus (WNV) NS2B-NS3 Protease' AND taxid = 11082   
Target
(Institution)
LigandTarget
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))
BDBM24732
PNG
((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...)
Show SMILES NCCCC[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C32H48N8O4/c33-18-6-4-12-27(39-29(42)21-23-14-16-25(17-15-23)24-9-2-1-3-10-24)31(44)40-28(13-5-7-19-34)30(43)38-26(22-41)11-8-20-37-32(35)36/h1-3,9-10,14-17,22,26-28H,4-8,11-13,18-21,33-34H2,(H,38,43)(H,39,42)(H,40,44)(H4,35,36,37)/t26-,27-,28-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6 -48.8 32n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24731
PNG
((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...)
Show SMILES NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C26H44N8O4/c27-14-6-4-12-21(33-23(36)17-19-9-2-1-3-10-19)25(38)34-22(13-5-7-15-28)24(37)32-20(18-35)11-8-16-31-26(29)30/h1-3,9-10,18,20-22H,4-8,11-17,27-28H2,(H,32,37)(H,33,36)(H,34,38)(H4,29,30,31)/t20-,21-,22-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
9 -47.8 51n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24734
PNG
((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...)
Show SMILES COc1cccc(CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C=O)c1
Show InChI InChI=1S/C27H46N8O5/c1-40-21-10-6-8-19(16-21)17-24(37)34-22(11-2-4-13-28)26(39)35-23(12-3-5-14-29)25(38)33-20(18-36)9-7-15-32-27(30)31/h6,8,10,16,18,20,22-23H,2-5,7,9,11-15,17,28-29H2,1H3,(H,33,38)(H,34,37)(H,35,39)(H4,30,31,32)/t20-,22-,23-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
11 -47.3 60n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24746
PNG
((2S)-6-amino-N-[(1S)-4-amino-1-{[(2S)-5-carbamimid...)
Show SMILES NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C25H42N8O4/c26-13-5-4-11-20(32-22(35)16-18-8-2-1-3-9-18)24(37)33-21(12-6-14-27)23(36)31-19(17-34)10-7-15-30-25(28)29/h1-3,8-9,17,19-21H,4-7,10-16,26-27H2,(H,31,36)(H,32,35)(H,33,37)(H4,28,29,30)/t19-,20-,21-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
13 -46.8 73n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24739
PNG
((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...)
Show SMILES NCCCC[C@H](NC(=O)COc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C26H44N8O5/c27-14-6-4-12-21(33-23(36)18-39-20-10-2-1-3-11-20)25(38)34-22(13-5-7-15-28)24(37)32-19(17-35)9-8-16-31-26(29)30/h1-3,10-11,17,19,21-22H,4-9,12-16,18,27-28H2,(H,32,37)(H,33,36)(H,34,38)(H4,29,30,31)/t19-,21-,22-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
19 -45.8 107n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24733
PNG
((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C32H50N8O5/c1-21(22-11-12-24-19-26(45-2)14-13-23(24)18-22)29(42)39-28(10-4-6-16-34)31(44)40-27(9-3-5-15-33)30(43)38-25(20-41)8-7-17-37-32(35)36/h11-14,18-21,25,27-28H,3-10,15-17,33-34H2,1-2H3,(H,38,43)(H,39,42)(H,40,44)(H4,35,36,37)/t21-,25-,27-,28-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
20 -45.7 112n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24735
PNG
((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...)
Show SMILES NCCCC[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C26H45N9O4/c27-14-6-4-12-21(23(37)33-20(18-36)11-8-16-31-25(29)30)34-24(38)22(13-5-7-15-28)35-26(39)32-17-19-9-2-1-3-10-19/h1-3,9-10,18,20-22H,4-8,11-17,27-28H2,(H,33,37)(H,34,38)(H4,29,30,31)(H2,32,35,39)/t20-,21-,22-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
26 -45.0 146n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24741
PNG
((2S)-6-amino-N-[(2S)-5-carbamimidamido-1-oxopentan...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C26H44N10O4/c27-13-5-4-11-21(23(39)34-19(17-37)10-6-14-32-25(28)29)36-24(40)20(12-7-15-33-26(30)31)35-22(38)16-18-8-2-1-3-9-18/h1-3,8-9,17,19-21H,4-7,10-16,27H2,(H,34,39)(H,35,38)(H,36,40)(H4,28,29,32)(H4,30,31,33)/t19-,20-,21-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
28 -44.8 154n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24736
PNG
(Capped tripeptide aldehyde inhibitor, 24 | benzyl ...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C26H44N8O5/c27-14-6-4-12-21(23(36)32-20(17-35)11-8-16-31-25(29)30)33-24(37)22(13-5-7-15-28)34-26(38)39-18-19-9-2-1-3-10-19/h1-3,9-10,17,20-22H,4-8,11-16,18,27-28H2,(H,32,36)(H,33,37)(H,34,38)(H4,29,30,31)/t20-,21-,22-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
40 -43.9 222n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24728
PNG
((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C29H44N8O4/c30-15-5-3-11-24(27(40)35-23(19-38)10-7-17-34-29(32)33)37-28(41)25(12-4-6-16-31)36-26(39)22-14-13-20-8-1-2-9-21(20)18-22/h1-2,8-9,13-14,18-19,23-25H,3-7,10-12,15-17,30-31H2,(H,35,40)(H,36,39)(H,37,41)(H4,32,33,34)/t23-,24-,25-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
41 -43.9 231n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24744
PNG
((2S)-N-[(1S)-5-amino-1-{[(2S)-5-carbamimidamido-1-...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C27H46N10O4/c28-14-6-4-12-22(24(40)35-20(18-38)11-8-16-34-27(31)32)37-25(41)21(13-5-7-15-33-26(29)30)36-23(39)17-19-9-2-1-3-10-19/h1-3,9-10,18,20-22H,4-8,11-17,28H2,(H,35,40)(H,36,39)(H,37,41)(H4,29,30,33)(H4,31,32,34)/t20-,21-,22-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
44 -43.7 245n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24742
PNG
((2S)-6-amino-2-[(2S)-5-amino-2-(1-phenylacetamido)...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCN)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C25H42N8O4/c26-13-5-4-11-21(23(36)31-19(17-34)10-7-15-30-25(28)29)33-24(37)20(12-6-14-27)32-22(35)16-18-8-2-1-3-9-18/h1-3,8-9,17,19-21H,4-7,10-16,26-27H2,(H,31,36)(H,32,35)(H,33,37)(H4,28,29,30)/t19-,20-,21-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
46 -43.6 255n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24737
PNG
((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C25H42N8O4/c26-14-6-4-12-20(23(36)31-19(17-34)11-8-16-30-25(28)29)33-24(37)21(13-5-7-15-27)32-22(35)18-9-2-1-3-10-18/h1-3,9-10,17,19-21H,4-8,11-16,26-27H2,(H,31,36)(H,32,35)(H,33,37)(H4,28,29,30)/t19-,20-,21-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
49 -43.4 271n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24748
PNG
((2S)-2-[(2S)-6-amino-2-(1-phenylacetamido)hexanami...)
Show SMILES NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C27H46N10O4/c28-14-6-4-12-21(36-23(39)17-19-9-2-1-3-10-19)25(41)37-22(13-5-7-15-33-26(29)30)24(40)35-20(18-38)11-8-16-34-27(31)32/h1-3,9-10,18,20-22H,4-8,11-17,28H2,(H,35,40)(H,36,39)(H,37,41)(H4,29,30,33)(H4,31,32,34)/t20-,21-,22-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
53 -43.2 297n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24745
PNG
((2S)-6-amino-N-[(1S)-4-carbamimidamido-1-{[(2S)-5-...)
Show SMILES NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C26H44N10O4/c27-13-5-4-11-20(35-22(38)16-18-8-2-1-3-9-18)24(40)36-21(12-7-15-33-26(30)31)23(39)34-19(17-37)10-6-14-32-25(28)29/h1-3,8-9,17,19-21H,4-7,10-16,27H2,(H,34,39)(H,35,38)(H,36,40)(H4,28,29,32)(H4,30,31,33)/t19-,20-,21-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
58 -43.0 325n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24738
PNG
((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...)
Show SMILES NCCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C27H46N8O4/c28-16-6-4-12-22(34-24(37)15-14-20-9-2-1-3-10-20)26(39)35-23(13-5-7-17-29)25(38)33-21(19-36)11-8-18-32-27(30)31/h1-3,9-10,19,21-23H,4-8,11-18,28-29H2,(H,33,38)(H,34,37)(H,35,39)(H4,30,31,32)/t21-,22-,23-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
81 -42.1 454n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24730
PNG
((2S)-6-amino-2-[(2S)-6-amino-2-[(2E)-3-phenylprop-...)
Show SMILES NCCCC[C@H](NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C27H44N8O4/c28-16-6-4-12-22(34-24(37)15-14-20-9-2-1-3-10-20)26(39)35-23(13-5-7-17-29)25(38)33-21(19-36)11-8-18-32-27(30)31/h1-3,9-10,14-15,19,21-23H,4-8,11-13,16-18,28-29H2,(H,33,38)(H,34,37)(H,35,39)(H4,30,31,32)/t21-,22-,23-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
104 -41.5 580n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24743
PNG
((2S)-6-amino-N-[(2S)-5-carbamimidamido-1-oxopentan...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C26H43N9O5/c27-13-5-4-11-21(23(38)33-19(17-36)10-6-14-31-25(28)29)35-24(39)20(12-7-15-32-26(30)40)34-22(37)16-18-8-2-1-3-9-18/h1-3,8-9,17,19-21H,4-7,10-16,27H2,(H,33,38)(H,34,37)(H,35,39)(H4,28,29,31)(H3,30,32,40)/t19-,20-,21-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
111 -41.3 619n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24740
PNG
((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1ccccc1N)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C25H43N9O4/c26-13-5-3-11-20(23(37)32-17(16-35)8-7-15-31-25(29)30)34-24(38)21(12-4-6-14-27)33-22(36)18-9-1-2-10-19(18)28/h1-2,9-10,16-17,20-21H,3-8,11-15,26-28H2,(H,32,37)(H,33,36)(H,34,38)(H4,29,30,31)/t17-,20-,21-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
160 -40.3 891n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24747
PNG
((2S)-6-amino-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-...)
Show SMILES NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C26H43N9O5/c27-13-5-4-11-20(34-22(37)16-18-8-2-1-3-9-18)24(39)35-21(12-7-15-32-26(30)40)23(38)33-19(17-36)10-6-14-31-25(28)29/h1-3,8-9,17,19-21H,4-7,10-16,27H2,(H,33,38)(H,34,37)(H,35,39)(H4,28,29,31)(H3,30,32,40)/t19-,20-,21-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.07E+3 -33.7 1.16E+4n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM24749
PNG
((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-1-(1H-indol-...)
Show SMILES NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
Show InChI InChI=1S/C31H42N6O4/c32-16-8-6-14-27(36-29(39)18-22-10-2-1-3-11-22)31(41)37-28(15-7-9-17-33)30(40)35-24(21-38)19-23-20-34-26-13-5-4-12-25(23)26/h1-5,10-13,20-21,24,27-28,34H,6-9,14-19,32-33H2,(H,35,40)(H,36,39)(H,37,41)/t24-,27-,28-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.60E+3 -31.7 2.57E+4n/an/an/an/a9.537



University of Queensland



Assay Description
Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33265
PNG
(guanidine, 5)
Show SMILES Cc1ccc(cc1)C(=NN=C(N)N)P(O)O
Show InChI InChI=1S/C9H13N4O2P/c1-6-2-4-7(5-3-6)8(16(14)15)12-13-9(10)11/h2-5,14-15H,1H3,(H4,10,11,13)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
1.30E+4 -27.7n/an/an/an/an/a8.523



University of Alabama at Birmingham



Assay Description
All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33264
PNG
(guanidine, 4)
Show SMILES NC(N)=NN=C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C9H9N5O/c10-9(11)14-13-7-5-3-1-2-4-6(5)12-8(7)15/h1-4H,(H4,10,11,14)(H,12,13,15)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
1.60E+4 -27.2n/an/an/an/an/a8.523



University of Alabama at Birmingham



Assay Description
All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33261
PNG
(biguanidine, 1)
Show SMILES NC(N)=NN=Cc1ccc(C=NN=C(N)N)cc1
Show InChI InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
3.50E+4 -25.3n/an/an/an/an/a8.523



University of Alabama at Birmingham



Assay Description
All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33260
PNG
(biguanidine, 2)
Show SMILES NC(=N)NN=CC=NN=C(N)N
Show InChI InChI=1S/C4H10N8/c5-3(6)11-9-1-2-10-12-4(7)8/h1-2H,(H4,5,6,11)(H4,7,8,12)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
3.37E+5 -19.7n/an/an/an/an/a8.523



University of Alabama at Birmingham



Assay Description
All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33262
PNG
(biguanidine, 3)
Show SMILES NC(N)NNc1ccc(NN=C(N)N)cc1
Show InChI InChI=1S/C8H16N8/c9-7(10)15-13-5-1-2-6(4-3-5)14-16-8(11)12/h1-4,7,13-15H,9-10H2,(H4,11,12,16)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
1.09E+6 -16.8n/an/an/an/an/a8.523



University of Alabama at Birmingham



Assay Description
All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spec...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33256
PNG
(phthalazine-based compound, 7)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1
Show InChI InChI=1S/C31H26N6O2/c1-39-31(38)23-8-6-20(7-9-23)21-10-14-24(15-11-21)34-29-26-4-2-3-5-27(26)30(37-36-29)35-25-16-12-22(13-17-25)28-32-18-19-33-28/h2-17H,18-19H2,1H3,(H,32,33)(H,34,36)(H,35,37)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.20E+3n/an/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....


Citation and Details
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
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

AffyNet 
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...


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33251
PNG
(phthalazine-based compound, 2)
Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C29H24N6/c1-2-6-20(7-3-1)21-10-14-23(15-11-21)32-28-25-8-4-5-9-26(25)29(35-34-28)33-24-16-12-22(13-17-24)27-30-18-19-31-27/h1-17H,18-19H2,(H,30,31)(H,32,34)(H,33,35)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.60E+3n/an/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....


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33253
PNG
(phthalazine-based compound, 4)
Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc4CCNCc4c3)c3ccccc23)cc1
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
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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....


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33255
PNG
(phthalazine-based compound, 6)
Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc4CNCCc4c3)c3ccccc23)cc1
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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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....


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33254
PNG
(phthalazine-based compound, 5)
Show SMILES NCc1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1
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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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....


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33257
PNG
(phthalazine-based compound, 8)
Show SMILES C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1
Show InChI InChI=1S/C26H24N8/c1-2-4-22-21(3-1)25(31-19-9-5-17(6-10-19)23-27-13-14-28-23)33-34-26(22)32-20-11-7-18(8-12-20)24-29-15-16-30-24/h1-12H,13-16H2,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.60E+4n/an/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....


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33252
PNG
(phthalazine-based compound, 3)
Show SMILES C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1
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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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....


Citation and Details
More data for this
Ligand-Target Pair
West Nile Virus (WNV) NS2B-NS3 Protease


(West Nile virus (WNV))
BDBM33250
PNG
(phthalazine-based compound, 1)
Show SMILES CC1CNC(=N1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC(C)CN3)c3ccccc23)cc1
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

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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....


Citation and Details
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
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
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...


Citation and Details
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
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

AffyNet 
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 ...


Citation and Details
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
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
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 ...


Citation and Details
More data for this
Ligand-Target Pair