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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polymerase acidic protein' and Ligand = 'BDBM50385495'   
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
Polymerase acidic protein


(Hepatitis C virus)
BDBM50385495
PNG
(CHEMBL2040585)
Show SMILES Oc1c(nc([nH]c1=O)-c1cnccn1)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C19H17N5O3/c25-16-15(23-17(24-19(16)27)14-10-20-8-9-21-14)18(26)22-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-10,13,25H,3,5,7H2,(H,22,26)(H,23,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.43E+4n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to PA N-terminal domain (Competitive)


ACS Chem Biol 7: 526-34 (2012)


Article DOI: 10.1021/cb200439z
BindingDB Entry DOI: 10.7270/Q2JQ121G
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50385495
PNG
(CHEMBL2040585)
Show SMILES Oc1c(nc([nH]c1=O)-c1cnccn1)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C19H17N5O3/c25-16-15(23-17(24-19(16)27)14-10-20-8-9-21-14)18(26)22-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-10,13,25H,3,5,7H2,(H,22,26)(H,23,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.43E+4n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Plaque growth inhibition


ACS Chem Biol 7: 526-34 (2012)


Article DOI: 10.1021/cb200439z
BindingDB Entry DOI: 10.7270/Q2JQ121G
More data for this
Ligand-Target Pair