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Compile Data Set for Download or QSAR

Found 3 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


(West Nile virus)
BDBM50542238
PNG
(CHEMBL4640778)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H32N4O3/c1-17(27-2)24(31)28-21-15-13-20-14-16-22(30(20)26(21)33)25(32)29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23,27H,13-16H2,1-2H3,(H,28,31)(H,29,32)/t17-,20-,21-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Binding affinity to West Nile virus NS2B-NS3 protease


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126965
BindingDB Entry DOI: 10.7270/Q27M0CGT
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50468907
PNG
(CHEMBL549740)
Show SMILES Cc1cc(CSC(N)=N)c(C)cc1CSC(N)=N
Show InChI InChI=1S/C12H18N4S2/c1-7-3-10(6-18-12(15)16)8(2)4-9(7)5-17-11(13)14/h3-4H,5-6H2,1-2H3,(H3,13,14)(H3,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.00E+4n/an/an/an/an/a



Charles University Prague

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans


Bioorg Med Chem 18: 1434-40 (2010)


Article DOI: 10.1016/j.bmc.2010.01.015
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50468907
PNG
(CHEMBL549740)
Show SMILES Cc1cc(CSC(N)=N)c(C)cc1CSC(N)=N
Show InChI InChI=1S/C12H18N4S2/c1-7-3-10(6-18-12(15)16)8(2)4-9(7)5-17-11(13)14/h3-4H,5-6H2,1-2H3,(H3,13,14)(H3,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.00E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to West Nile virus NS3 protease by 15N-HSQC 1H NMR analysis


Eur J Med Chem 156: 907-917 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.042
BindingDB Entry DOI: 10.7270/Q26W9DRP
More data for this
Ligand-Target Pair