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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polymerase basic protein 2' and Ligand = 'BDBM50507228'   
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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50507228
PNG
(CHEMBL4434862)
Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2ccsc12)-c1n[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(9.79,-17.85,;11.13,-18.61,;12.46,-17.83,;11.14,-20.16,;12.49,-20.92,;12.5,-22.47,;11.16,-23.25,;9.83,-22.49,;10.59,-21.2,;11.71,-22.1,;9.82,-20.94,;8.49,-20.19,;7.18,-20.96,;7.65,-22.41,;6.63,-23.55,;5.13,-23.25,;4.65,-21.8,;3.24,-21.17,;3.4,-19.64,;4.91,-19.32,;5.68,-20.65,;7.12,-25.01,;6.22,-26.26,;7.13,-27.51,;8.59,-27.02,;9.93,-27.79,;11.27,-27.02,;11.26,-25.47,;12.6,-24.69,;9.93,-24.7,;8.59,-25.48,)|
Show InChI InChI=1S/C21H19FN6O2S/c22-11-7-12-16(27-28-18(12)23-8-11)19-24-13-5-6-31-17(13)20(26-19)25-15-10-3-1-9(2-4-10)14(15)21(29)30/h5-10,14-15H,1-4H2,(H,29,30)(H,23,27,28)(H,24,25,26)/t9?,10?,14-,15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.5n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ...


Eur J Med Chem 162: 249-265 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P
More data for this
Ligand-Target Pair