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SMILES: COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O

InChI Key: InChIKey=JYIVMQPLCGSFGI-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 243455   
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))
BDBM243455
PNG
(US9427440, 2)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O
Show InChI InChI=1S/C32H40N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,18-19,21,24H,4-8,13-17,20H2,1-3H3,(H,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 410n/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))
BDBM243455
PNG
(US9427440, 2)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O
Show InChI InChI=1S/C32H40N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,18-19,21,24H,4-8,13-17,20H2,1-3H3,(H,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 90n/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