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There are 6 purchasable compounds for target: PB2

Wt: 432.8
BDBM50050699
Wt: 468.9
BDBM50050716
Wt: 362.7
BDBM50050718
Purchase
Wt: 331.7
BDBM50050720
Purchase
Wt: 402.8
BDBM50050721
Purchase
Wt: 471.5
BDBM50050715
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50050699,50050716,50050718,50050720,50050721,50050715   
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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50050715
PNG
(CHEMBL3317989)
Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4CCC[C@H](C4)NC(=O)NC4CCOCC4)n3)c2c1
Show InChI InChI=1/C23H27F2N7O2/c24-13-8-17-18(11-27-20(17)26-10-13)21-28-12-19(25)22(32-21)29-15-2-1-3-16(9-15)31-23(33)30-14-4-6-34-7-5-14/h8,10-12,14-16H,1-7,9H2,(H,26,27)(H,28,29,32)(H2,30,31,33)/t15-,16+/s2
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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)

More data for this
Ligand-Target Pair
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50050721
PNG
(CHEMBL3317973)
Show SMILES CC(=O)N1CCC[C@H](CNc2nc(ncc2F)-c2c[nH]c3ncc(Cl)cc23)C1
Show InChI InChI=1/C19H20ClFN6O/c1-11(28)27-4-2-3-12(10-27)6-22-19-16(21)9-25-18(26-19)15-8-24-17-14(15)5-13(20)7-23-17/h5,7-9,12H,2-4,6,10H2,1H3,(H,23,24)(H,22,25,26)/t12-/s2
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n/an/an/a 300n/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)

More data for this
Ligand-Target Pair
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50050718
PNG
(CHEMBL3317969)
Show SMILES C[C@H](Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(=O)N(C)C
Show InChI InChI=1/C16H16ClFN6O/c1-8(16(25)24(2)3)22-15-12(18)7-21-14(23-15)11-6-20-13-10(11)4-9(17)5-19-13/h4-8H,1-3H3,(H,19,20)(H,21,22,23)/t8-/s2
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n/an/an/a 100n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50050720
PNG
(CHEMBL3317972)
Show SMILES Fc1cnc(nc1NC1CCCC1)-c1c[nH]c2ncc(Cl)cc12
Show InChI InChI=1S/C16H15ClFN5/c17-9-5-11-12(7-20-14(11)19-6-9)15-21-8-13(18)16(23-15)22-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,19,20)(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 700n/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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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)

More data for this
Ligand-Target Pair