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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1027-1711]' and Ligand = 'BDBM235856'   
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 [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235856
PNG
(US9364482, 30)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(C(C)c3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1 |@@:25|
Show InChI InChI=1S/C33H28F2N4O6S/c1-18(19-5-9-21(34)10-6-19)39-17-44-27-14-13-25(37-30(27)33(39)41)23-15-24-28(16-26(23)38(3)46(4,42)43)45-31(29(24)32(40)36-2)20-7-11-22(35)12-8-20/h5-16,18H,17H2,1-4H3,(H,36,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.981n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235856
PNG
(US9364482, 30)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(C(C)c3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1 |@@:25|
Show InChI InChI=1S/C33H28F2N4O6S/c1-18(19-5-9-21(34)10-6-19)39-17-44-27-14-13-25(37-30(27)33(39)41)23-15-24-28(16-26(23)38(3)46(4,42)43)45-31(29(24)32(40)36-2)20-7-11-22(35)12-8-20/h5-16,18H,17H2,1-4H3,(H,36,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.23n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair