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BDBM101331 US8524716, 10

SMILES: O=C1CCCN1c1ccc(N2CCOCC2)c(COc2ccc(cc2)-c2c(C3CCCCC3)c3ccc4cc3n2CC(=O)NCCCCCCNC4=O)c1

InChI Key: InChIKey=QOMMRGQGVZCXLK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101331   
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
RNA-directed RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM101331
PNG
(US8524716, 10)
Show SMILES O=C1CCCN1c1ccc(N2CCOCC2)c(COc2ccc(cc2)-c2c(C3CCCCC3)c3ccc4cc3n2CC(=O)NCCCCCCNC4=O)c1
Show InChI InChI=1S/C44H53N5O5/c50-40-29-49-39-28-33(44(52)46-21-7-2-1-6-20-45-40)14-18-37(39)42(31-9-4-3-5-10-31)43(49)32-12-16-36(17-13-32)54-30-34-27-35(48-22-8-11-41(48)51)15-19-38(34)47-23-25-53-26-24-47/h12-19,27-28,31H,1-11,20-26,29-30H2,(H,45,50)(H,46,52)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.90E+3n/an/an/an/an/a25



Janssen Ireland

US Patent


Assay Description
Inhibition assay using HCV NS5B.


US Patent US8524716 (2013)


BindingDB Entry DOI: 10.7270/Q22R3Q9P
More data for this
Ligand-Target Pair