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BDBM50050699 CHEMBL3317984

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

InChI Key: InChIKey=BRSBILSERAJLMC-HEVMSJOKSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050699   
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...)		BDBM50050699
PNG
(CHEMBL3317984)
Show SMILES CC(O)C(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C20H22ClFN6O2/c1-10(29)20(30)27-13-4-2-3-12(6-13)26-19-16(22)9-25-18(28-19)15-8-24-17-14(15)5-11(21)7-23-17/h5,7-10,12-13,29H,2-4,6H2,1H3,(H,23,24)(H,27,30)(H,25,26,28)/t10?,12-,13+/m0/s1
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
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Similars
Article
PubMed
n/an/an/a 400n/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