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BDBM50050707 CHEMBL3318003

SMILES: COCC[C@@]1(CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(O)=O

InChI Key: InChIKey=GTZMJRZFMBVKRE-HRAATJIYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050707   
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...)		BDBM50050707
PNG
(CHEMBL3318003)
Show SMILES COCC[C@@]1(CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(O)=O |r|
Show InChI InChI=1S/C21H23ClFN5O3/c1-31-7-6-21(20(29)30)5-3-2-4-16(21)27-19-15(23)11-26-18(28-19)14-10-25-17-13(14)8-12(22)9-24-17/h8-11,16H,2-7H2,1H3,(H,24,25)(H,29,30)(H,26,27,28)/t16-,21+/m0/s1
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Article
PubMed
n/an/an/a 9n/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