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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50522793'   
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
Genome polyprotein


(Dengue virus 2)
BDBM50522793
PNG
(CHEMBL4545026)
Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H46N8O5/c1-43(34(47)26-13-6-3-7-14-26)29(16-10-22-40-35(38)39)33(46)41-28(15-8-9-21-36)32(45)42-30(31(37)44)25-17-19-27(20-18-25)48-23-24-11-4-2-5-12-24/h2-7,11-14,17-20,28-30H,8-10,15-16,21-23,36H2,1H3,(H2,37,44)(H,41,46)(H,42,45)(H4,38,39,40)/t28-,29-,30+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...


Bioorg Med Chem Lett 29: 1913-1917 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.054
BindingDB Entry DOI: 10.7270/Q2T15723
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50522793
PNG
(CHEMBL4545026)
Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H46N8O5/c1-43(34(47)26-13-6-3-7-14-26)29(16-10-22-40-35(38)39)33(46)41-28(15-8-9-21-36)32(45)42-30(31(37)44)25-17-19-27(20-18-25)48-23-24-11-4-2-5-12-24/h2-7,11-14,17-20,28-30H,8-10,15-16,21-23,36H2,1H3,(H2,37,44)(H,41,46)(H,42,45)(H4,38,39,40)/t28-,29-,30+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of West Nile virus NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)-Tyr substrate a...


Bioorg Med Chem Lett 29: 1913-1917 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.054
BindingDB Entry DOI: 10.7270/Q2T15723
More data for this
Ligand-Target Pair