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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 = 'BDBM50507229'   
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...)
BDBM50507229
PNG
(CHEMBL4593027)
Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2sccc12)-c1n[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(24.37,-19.32,;25.71,-20.08,;27.04,-19.3,;25.72,-21.62,;27.07,-22.39,;27.08,-23.94,;25.74,-24.71,;24.41,-23.95,;25.17,-22.66,;26.29,-23.57,;24.4,-22.4,;23.07,-21.65,;21.76,-22.43,;22.24,-23.88,;21.22,-25.02,;19.71,-24.72,;19.23,-23.26,;17.82,-22.64,;17.98,-21.11,;19.49,-20.79,;20.26,-22.12,;21.7,-26.47,;20.8,-27.73,;21.71,-28.97,;23.18,-28.49,;24.52,-29.26,;25.85,-28.49,;25.85,-26.93,;27.18,-26.16,;24.51,-26.17,;23.17,-26.95,)|
Show InChI InChI=1S/C21H19FN6O2S/c22-11-7-13-16(27-28-17(13)23-8-11)19-25-18(12-5-6-31-20(12)26-19)24-15-10-3-1-9(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 0.0600n/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