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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM139222'   
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)))
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)))
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