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SMILES: CC(C)CCn1c2cccc(Br)c2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O

InChI Key: InChIKey=KGZFFNUWOCFUNU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50181629   
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)		BDBM50181629
PNG
(5-bromo-3-(1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[...)
Show SMILES CC(C)CCn1c2cccc(Br)c2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C21H20BrN3O4S/c1-12(2)10-11-25-15-8-5-6-13(22)17(15)19(26)18(21(25)27)20-23-14-7-3-4-9-16(14)30(28,29)24-20/h3-9,12,26H,10-11H2,1-2H3,(H,23,24)
UniProtKB/TrEMBL

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PubMed
n/an/a 105n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay

J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair