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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM263095'   
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)
BDBM263095
PNG
(US9708359, 16 | US9708359, 28)
Show SMILES NC(=S)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(nc(N)c12)-c1ccccc1 |r|
Show InChI InChI=1S/C18H19N5O4S/c19-14-11-9(15(20)28)6-23(18-13(26)12(25)10(7-24)27-18)17(11)22-16(21-14)8-4-2-1-3-5-8/h1-6,10,12-13,18,24-26H,7H2,(H2,20,28)(H2,19,21,22)/t10-,12-,13-,18-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/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)
BDBM263095
PNG
(US9708359, 16 | US9708359, 28)
Show SMILES NC(=S)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(nc(N)c12)-c1ccccc1 |r|
Show InChI InChI=1S/C18H19N5O4S/c19-14-11-9(15(20)28)6-23(18-13(26)12(25)10(7-24)27-18)17(11)22-16(21-14)8-4-2-1-3-5-8/h1-6,10,12-13,18,24-26H,7H2,(H2,20,28)(H2,19,21,22)/t10-,12-,13-,18-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/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