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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for UniProtKB: P03438   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hemagglutinin


(Influenza A virus (strain A/X-31 H3N2))
BDBM50402142
PNG
(CHEMBL2207987)
Show SMILES CC1SC2(CCC(C)CC2)N(NC(=O)c2c(C)nc3sccn23)C1=O |(9.09,-15.26,;10.63,-15.1,;11.66,-16.25,;13.06,-15.62,;14.4,-14.85,;15.73,-15.62,;15.73,-17.16,;17.06,-17.93,;14.4,-17.93,;13.06,-17.16,;12.9,-14.09,;14.05,-13.06,;13.73,-11.55,;12.29,-11,;14.92,-10.58,;16.41,-10.98,;16.96,-12.42,;17.25,-9.69,;16.28,-8.49,;16.2,-6.95,;14.71,-6.56,;13.87,-7.85,;14.84,-9.04,;11.4,-13.77,;10.77,-12.36,)|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-4-6-17(7-5-10)21(15(23)12(3)25-17)19-14(22)13-11(2)18-16-20(13)8-9-24-16/h8-10,12H,4-7H2,1-3H3,(H,19,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/a5.0n/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of hemagglutinin in Influenza A virus (A/X-31(H3N2)) infected in chicken red blood cells assessed as inhibition of hemolysis preincubated ...


Bioorg Med Chem 20: 7155-9 (2012)


Article DOI: 10.1016/j.bmc.2012.09.064
BindingDB Entry DOI: 10.7270/Q28W3FFD
More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/X-31 H3N2))
BDBM50402143
PNG
(CHEMBL2207978)
Show SMILES CC1SC2(CCC(C)CC2)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O |TLB:12:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,12:14:17:21.20.19,(20.87,-7.87,;19.96,-9.18,;20.46,-10.62,;19.24,-11.54,;20.56,-12.29,;20.58,-13.82,;19.28,-14.61,;19.31,-16.21,;17.94,-13.87,;17.92,-12.34,;17.98,-10.68,;16.48,-11.2,;15.13,-10.35,;15.19,-8.83,;13.74,-11.1,;13.03,-12.62,;11.49,-12.39,;10.08,-13.16,;10.98,-11.6,;10.62,-10.11,;11.86,-9.32,;11.11,-10.8,;13.4,-9.57,;12.42,-11.78,;18.43,-9.21,;17.51,-7.99,)|
Show InChI InChI=1S/C21H32N2O2S/c1-13-3-5-21(6-4-13)23(18(24)14(2)26-21)22-19(25)20-10-15-7-16(11-20)9-17(8-15)12-20/h13-17H,3-12H2,1-2H3,(H,22,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+3n/an/an/an/a5.0n/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of hemagglutinin in Influenza A virus (A/X-31(H3N2)) infected in chicken red blood cells assessed as inhibition of hemolysis preincubated ...


Bioorg Med Chem 20: 7155-9 (2012)


Article DOI: 10.1016/j.bmc.2012.09.064
BindingDB Entry DOI: 10.7270/Q28W3FFD
More data for this
Ligand-Target Pair