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BDBM50050716 CHEMBL3317990

SMILES: Cn1cncc1C(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12

InChI Key: InChIKey=HVPVWIOMBFSELN-UONOGXRCSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050716   
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...)		BDBM50050716
PNG
(CHEMBL3317990)
Show SMILES Cn1cncc1C(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C22H22ClFN8O/c1-32-11-25-10-18(32)22(33)30-14-4-2-3-13(6-14)29-21-17(24)9-28-20(31-21)16-8-27-19-15(16)5-12(23)7-26-19/h5,7-11,13-14H,2-4,6H2,1H3,(H,26,27)(H,30,33)(H,28,29,31)/t13-,14+/m0/s1
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Article
PubMed
n/an/an/a 20n/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