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SMILES: COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)NCC\C=C\CN(C)S(=O)(=O)NC5=O

InChI Key: InChIKey=GQFHMNWQVVXCJW-XBXARRHUSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 243459   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM243459
PNG
(US9427440, 12)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)NCC\C=C\CN(C)S(=O)(=O)NC5=O |t:38|
Show InChI InChI=1S/C33H38N4O5S/c1-36-16-8-4-7-15-34-32(39)33-19-27(33)26-18-23(42-2)12-14-24(26)30-29(21-9-5-3-6-10-21)25-13-11-22(17-28(25)37(30)20-33)31(38)35-43(36,40)41/h4,8,11-14,17-18,21,27H,3,5-7,9-10,15-16,19-20H2,1-2H3,(H,34,39)(H,35,38)/b8-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 930n/an/an/an/a7.525



Janssen Sciences Ireland UC

US Patent


Assay Description
Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [1027-3010]


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM243459
PNG
(US9427440, 12)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)NCC\C=C\CN(C)S(=O)(=O)NC5=O |t:38|
Show InChI InChI=1S/C33H38N4O5S/c1-36-16-8-4-7-15-34-32(39)33-19-27(33)26-18-23(42-2)12-14-24(26)30-29(21-9-5-3-6-10-21)25-13-11-22(17-28(25)37(30)20-33)31(38)35-43(36,40)41/h4,8,11-14,17-18,21,27H,3,5-7,9-10,15-16,19-20H2,1-2H3,(H,34,39)(H,35,38)/b8-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 290n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair