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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM60723'   
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
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM60723
PNG
(BDBM183602 | US9145354, 268)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)c(C)c2)c1F |r|
Show InChI InChI=1S/C21H25ClFN3O2/c1-4-17(26-12(3)10-18(25)27)14-6-7-15(22)19(20(14)23)21(28)13-5-8-16(24)11(2)9-13/h5-9,12,17,26H,4,10,24H2,1-3H3,(H2,25,27)/t12-,17+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 110n/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
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM60723
PNG
(BDBM183602 | US9145354, 268)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)c(C)c2)c1F |r|
Show InChI InChI=1S/C21H25ClFN3O2/c1-4-17(26-12(3)10-18(25)27)14-6-7-15(22)19(20(14)23)21(28)13-5-8-16(24)11(2)9-13/h5-9,12,17,26H,4,10,24H2,1-3H3,(H2,25,27)/t12-,17+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 190n/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