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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50567466'   
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


(West Nile virus)
BDBM50567466
PNG
(CHEMBL4862682)
Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1cn[nH]c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02070
BindingDB Entry DOI: 10.7270/Q20G3PWH
More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM50567466
PNG
(CHEMBL4862682)
Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1cn[nH]c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Charles University Prague

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli


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


(Dengue virus 2)
BDBM50567466
PNG
(CHEMBL4862682)
Show SMILES NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1cn[nH]c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition Dengue serotype-2 NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02070
BindingDB Entry DOI: 10.7270/Q20G3PWH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)