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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 = 'BDBM50385492'   
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)
BDBM50385492
PNG
(CHEMBL2040582)
Show SMILES C[C@@H](NC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1)c1ccc(C)cc1
Show InChI InChI=1S/C18H17N5O3/c1-10-3-5-12(6-4-10)11(2)21-17(25)14-15(24)18(26)23-16(22-14)13-9-19-7-8-20-13/h3-9,11,24H,1-2H3,(H,21,25)(H,22,23,26)/t11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.61E+3n/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)
BDBM50385492
PNG
(CHEMBL2040582)
Show SMILES C[C@@H](NC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1)c1ccc(C)cc1
Show InChI InChI=1S/C18H17N5O3/c1-10-3-5-12(6-4-10)11(2)21-17(25)14-15(24)18(26)23-16(22-14)13-9-19-7-8-20-13/h3-9,11,24H,1-2H3,(H,21,25)(H,22,23,26)/t11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.52E+3n/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