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BDBM50301906 CHEMBL571606::N-{3-[(S)-5-tert-Butyl-4-hydroxy-1-(3-methyl-butyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1,4]thiazin-7-yl}-methanesulfonamide

SMILES: CC(C)CCN1[C@H](C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)C1)C(C)(C)C

InChI Key: InChIKey=IJEVMRAZROWVMS-ROPPNANJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50301906   
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 polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM50301906
PNG
(CHEMBL571606 | N-{3-[(S)-5-tert-Butyl-4-hydroxy-1-...)
Show SMILES CC(C)CCN1[C@H](C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)C1)C(C)(C)C |r,t:13|
Show InChI InChI=1S/C22H31N3O6S2/c1-13(2)9-10-25-20(22(3,4)5)19(26)18(21(25)27)16-12-33(30,31)17-11-14(24-32(6,28)29)7-8-15(17)23-16/h7-8,11,13,18,20,24H,9-10,12H2,1-6H3/t18?,20-/m1/s1
PDB

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of HSV 1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product


Bioorg Med Chem Lett 19: 5648-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.023
BindingDB Entry DOI: 10.7270/Q2T72HJM
More data for this
Ligand-Target Pair