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BDBM183519 US9145354, 141

SMILES: CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(nc2)C#N)c1F

InChI Key: InChIKey=VEJYSJVSNNHPOC-XOAMCLMSNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 183519   
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
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM183519
PNG
(US9145354, 141)
Show SMILES CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(nc2)C#N)c1F
Show InChI InChI=1/C20H20ClFN4O2/c1-3-16(26-11(2)8-17(24)27)14-6-7-15(21)18(19(14)22)20(28)12-4-5-13(9-23)25-10-12/h4-7,10-11,16,26H,3,8H2,1-2H3,(H2,24,27)/t11-,16-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 470n/an/an/an/an/a25



Astex Therapeutics Limited

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...


US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair