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Patent code US8883846

Compile Data Set for Download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Neuraminidase


(Influenza A virus (A/Brisbane/59/2007(H1N1)))
BDBM139226
PNG
(US8883846, 32)
Show SMILES CC(=O)N[C@H]1CS(=O)(=O)C2[C@H](C[C@@H](NC(N)=N)C12)C(O)=O |r|
Show InChI InChI=1S/C11H18N4O5S/c1-4(16)14-7-3-21(19,20)9-5(10(17)18)2-6(8(7)9)15-11(12)13/h5-9H,2-3H2,1H3,(H,14,16)(H,17,18)(H4,12,13,15)/t5-,6+,7-,8?,9?/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
5.00E+3 -30.3 3.00E+4n/an/an/an/an/a25



UVic Industry Partnerships Inc.

US Patent


Assay Description
Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into...


US Patent US8883846 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99HM
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Brisbane/59/2007(H1N1)))
BDBM139222
PNG
(US8883846, 20 | US8883846, 31)
Show SMILES CC(=O)N[C@H]1CS(=O)(=O)[C@@H]2[C@H](C[C@@H](N)[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C10H16N2O5S/c1-4(13)12-7-3-18(16,17)9-5(10(14)15)2-6(11)8(7)9/h5-9H,2-3,11H2,1H3,(H,12,13)(H,14,15)/t5-,6+,7-,8+,9+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.00E+4 -26.8 9.20E+4n/an/an/an/an/a25



UVic Industry Partnerships Inc.

US Patent


Assay Description
Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into...


US Patent US8883846 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99HM
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Brisbane/59/2007(H1N1)))
BDBM139224
PNG
(US8883846, 27)
Show SMILES CC(=O)N[C@H]1CC[C@@H]2[C@H](C[C@@H](N\C(NC(=O)OCc3ccccc3)=N\C(=O)OCc3ccccc3)[C@H]12)O[Si](C)(C)C(C)(C)C |r|
Show InChI InChI=1S/C33H46N4O6Si/c1-22(38)34-26-18-17-25-28(43-44(5,6)33(2,3)4)19-27(29(25)26)35-30(36-31(39)41-20-23-13-9-7-10-14-23)37-32(40)42-21-24-15-11-8-12-16-24/h7-16,25-29H,17-21H2,1-6H3,(H,34,38)(H2,35,36,37,39,40)/t25-,26+,27-,28+,29+/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.00E+6 -17.1 3.80E+6n/an/an/an/an/a25



UVic Industry Partnerships Inc.

US Patent


Assay Description
Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into...


US Patent US8883846 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99HM
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Brisbane/59/2007(H1N1)))
BDBM139222
PNG
(US8883846, 20 | US8883846, 31)
Show SMILES CC(=O)N[C@H]1CS(=O)(=O)[C@@H]2[C@H](C[C@@H](N)[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C10H16N2O5S/c1-4(13)12-7-3-18(16,17)9-5(10(14)15)2-6(11)8(7)9/h5-9H,2-3,11H2,1H3,(H,12,13)(H,14,15)/t5-,6+,7-,8+,9+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.00E+6n/an/an/an/an/a25



UVic Industry Partnerships Inc.

US Patent


Assay Description
Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into...


US Patent US8883846 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99HM
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Brisbane/59/2007(H1N1)))
BDBM139223
PNG
(US8883846, 21)
Show SMILES CC(=O)N[C@H]1CS(=O)(=O)[C@@H]2[C@H](C[C@@H](NC(N)=N)[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C11H18N4O5S/c1-4(16)14-7-3-21(19,20)9-5(10(17)18)2-6(8(7)9)15-11(12)13/h5-9H,2-3H2,1H3,(H,14,16)(H,17,18)(H4,12,13,15)/t5-,6+,7-,8+,9+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.00E+7n/an/an/an/an/a25



UVic Industry Partnerships Inc.

US Patent


Assay Description
Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into...


US Patent US8883846 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99HM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%