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BDBM50484978 CHEMBL2017857

SMILES: OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ncoc5CCCn4c3c2)cc1

InChI Key: InChIKey=OEZDVNZCDFPXLO-SFQUDFHCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484978   
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


(Hepacivirus C)
BDBM50484978
PNG
(CHEMBL2017857)
Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ncoc5CCCn4c3c2)cc1
Show InChI InChI=1S/C36H38N4O5/c41-30(42)17-12-23-10-14-26(15-11-23)38-35(44)36(18-4-5-19-36)39-34(43)25-13-16-27-28(21-25)40-20-6-9-29-32(37-22-45-29)33(40)31(27)24-7-2-1-3-8-24/h10-17,21-22,24H,1-9,18-20H2,(H,38,44)(H,39,43)(H,41,42)/b17-12+
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.85E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant


Bioorg Med Chem Lett 22: 2866-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.063
BindingDB Entry DOI: 10.7270/Q2NK3HWC
More data for this
Ligand-Target Pair