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SMILES: OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2cccnc12)-c1c[nH]c2ncc(F)cc12

InChI Key: InChIKey=SHRDEFRLGALLPR-DFYNNNJYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50507235   
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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50507235
PNG
(CHEMBL4514982)
Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2cccnc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(76.83,-1,;78.17,-1.76,;79.51,-.98,;78.18,-3.31,;79.53,-4.08,;79.54,-5.62,;78.2,-6.4,;76.87,-5.64,;77.63,-4.35,;78.76,-5.25,;76.86,-4.09,;75.53,-3.34,;74.21,-4.12,;74.69,-5.57,;73.67,-6.71,;72.17,-6.41,;71.69,-4.95,;70.19,-4.64,;69.71,-3.19,;70.74,-2.04,;72.24,-2.35,;72.72,-3.81,;74.16,-8.16,;73.26,-9.42,;74.17,-10.67,;75.63,-10.18,;76.98,-10.96,;78.31,-10.18,;78.31,-8.63,;79.65,-7.85,;76.97,-7.86,;75.63,-8.64,)|
Show InChI InChI=1S/C23H21FN6O2/c24-13-8-14-15(10-27-20(14)26-9-13)21-28-16-2-1-7-25-19(16)22(30-21)29-18-12-5-3-11(4-6-12)17(18)23(31)32/h1-2,7-12,17-18H,3-6H2,(H,26,27)(H,31,32)(H,28,29,30)/t11?,12?,17-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 14n/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