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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nonstructural protein 3' 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
Nonstructural protein 3


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 710n/an/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
Nonstructural protein 3


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 760n/an/an/an/an/an/a


TBA

Assay Description
Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as ...


Citation and Details

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