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SMILES: Cn1cc(F)c2c(N[C@H]3C4CCC(CC4)[C@@H]3C(O)=O)nc(nc12)-c1c[nH]c2ncc(F)cc12

InChI Key: InChIKey=NCKZMCDOTNFJMK-YAEBLMSPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50507222   
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...)		BDBM50507222
PNG
(CHEMBL4459959)
Show SMILES Cn1cc(F)c2c(N[C@H]3C4CCC(CC4)[C@@H]3C(O)=O)nc(nc12)-c1c[nH]c2ncc(F)cc12 |r,wU:15.17,wD:8.7,(19.15,-35.75,;20.47,-34.99,;20.63,-33.46,;22.14,-33.14,;22.76,-31.74,;22.91,-34.47,;24.41,-34.78,;25.72,-34,;27.05,-34.75,;27.06,-36.31,;28.39,-37.06,;29.73,-36.29,;29.72,-34.74,;28.94,-35.92,;27.82,-35.01,;28.37,-33.97,;28.36,-32.43,;27.02,-31.67,;29.69,-31.65,;24.88,-36.23,;23.86,-37.37,;22.36,-37.07,;21.88,-35.62,;24.35,-38.82,;23.45,-40.08,;24.36,-41.33,;25.82,-40.84,;27.16,-41.61,;28.5,-40.84,;28.49,-39.29,;29.83,-38.51,;27.16,-38.52,;25.82,-39.3,)|
Show InChI InChI=1S/C23H22F2N6O2/c1-31-9-15(25)17-21(28-18-11-4-2-10(3-5-11)16(18)23(32)33)29-20(30-22(17)31)14-8-27-19-13(14)6-12(24)7-26-19/h6-11,16,18H,2-5H2,1H3,(H,26,27)(H,32,33)(H,28,29,30)/t10?,11?,16-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.60n/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