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BDBM50050698 CHEMBL3317983

SMILES: COCC(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12

InChI Key: InChIKey=CEJXBPHBSKVDCT-OLZOCXBDSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050698   
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...)		BDBM50050698
PNG
(CHEMBL3317983)
Show SMILES COCC(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r|
Show InChI InChI=1S/C20H22F2N6O2/c1-30-10-17(29)26-12-3-2-4-13(6-12)27-20-16(22)9-25-19(28-20)15-8-24-18-14(15)5-11(21)7-23-18/h5,7-9,12-13H,2-4,6,10H2,1H3,(H,23,24)(H,26,29)(H,25,27,28)/t12-,13+/m1/s1
PDB

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Similars
Article
PubMed
n/an/an/a 200n/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay

J Med Chem 57: 6668-78 (2014)


Article DOI: 10.1021/jm5007275
BindingDB Entry DOI: 10.7270/Q2R21316
More data for this
Ligand-Target Pair