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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM204811'   
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 (Virus))
BDBM204811
PNG
(US9243002, 92)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CN3CCC3)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C37H33F2N5O4S/c1-40-37(45)34-27-17-26(31(42(2)49(3,46)47)19-33(27)48-36(34)21-8-11-23(38)12-9-21)29-13-10-22-16-24(20-43-14-5-15-43)44-30-7-4-6-28(39)25(30)18-32(44)35(22)41-29/h4,6-13,17-19,24H,5,14-16,20H2,1-3H3,(H,40,45)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.55n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM204811
PNG
(US9243002, 92)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CN3CCC3)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C37H33F2N5O4S/c1-40-37(45)34-27-17-26(31(42(2)49(3,46)47)19-33(27)48-36(34)21-8-11-23(38)12-9-21)29-13-10-22-16-24(20-43-14-5-15-43)44-30-7-4-6-28(39)25(30)18-32(44)35(22)41-29/h4,6-13,17-19,24H,5,14-16,20H2,1-3H3,(H,40,45)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 46.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair