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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM263083'   
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


(Murine norovirus 1)
BDBM263083
PNG
(US9708359, 126)
Show SMILES C[C@@H](NP(=O)(N[C@@H](C)C(=O)OCc1ccccc1)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H40N7O10P/c1-18(32(44)47-15-21-10-6-4-7-11-21)38-51(46,39-19(2)33(45)48-16-22-12-8-5-9-13-22)49-17-24-26(41)27(42)31(50-24)40-14-23(29(35)43)25-28(34)36-20(3)37-30(25)40/h4-14,18-19,24,26-27,31,41-42H,15-17H2,1-3H3,(H2,35,43)(H2,34,36,37)(H2,38,39,46)/t18-,19+,24-,26-,27-,31-,51?/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.89E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263083
PNG
(US9708359, 126)
Show SMILES C[C@@H](NP(=O)(N[C@@H](C)C(=O)OCc1ccccc1)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H40N7O10P/c1-18(32(44)47-15-21-10-6-4-7-11-21)38-51(46,39-19(2)33(45)48-16-22-12-8-5-9-13-22)49-17-24-26(41)27(42)31(50-24)40-14-23(29(35)43)25-28(34)36-20(3)37-30(25)40/h4-14,18-19,24,26-27,31,41-42H,15-17H2,1-3H3,(H2,35,43)(H2,34,36,37)(H2,38,39,46)/t18-,19+,24-,26-,27-,31-,51?/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.36E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair