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SMILES: CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)NCc4cccc(c4)[N+]([O-])=O)cc3S(=O)(=O)N2)c1=O

InChI Key: InChIKey=ZHKUVYIFTHUGBB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50186162   
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


(Hepatitis C virus)		BDBM50186162
PNG
(CHEMBL211130 | N-[(3-nitrophenyl)methyl]({3-[4-hyd...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)NCc4cccc(c4)[N+]([O-])=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C27H27N7O8S2/c1-16(2)10-12-33-26-20(7-4-11-28-26)24(35)23(27(33)36)25-30-21-9-8-18(14-22(21)43(39,40)32-25)31-44(41,42)29-15-17-5-3-6-19(13-17)34(37)38/h3-9,11,13-14,16,29,31,35H,10,12,15H2,1-2H3,(H,30,32)
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase

Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair