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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Non-structural protein 5B (NS5B)' and Ligand = 'BDBM30544'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30544
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ap)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(Cl)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
Show InChI InChI=1S/C23H22ClFN4O6S2/c1-36(32,33)27-13-6-8-17-19(10-13)37(34,35)28-22(26-17)20-21(30)14-3-2-4-18(14)29(23(20)31)11-12-5-7-16(25)15(24)9-12/h5-10,14,18,20,27H,2-4,11H2,1H3,(H,26,28)/t14-,18+,20?/m1/s1
PDB

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PC cid
PC sid
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Patents

Article
PubMed
n/an/a<10n/a 55n/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
More data for this
Ligand-Target Pair