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PubMed code 25019388

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50050712
PNG
(CHEMBL3318007)
Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(15.61,-25.66,;14.11,-26.02,;13.05,-24.9,;13.67,-27.49,;14.73,-28.62,;14.29,-30.09,;12.8,-30.45,;11.74,-29.34,;12.83,-28.23,;13.22,-29.72,;12.18,-27.86,;11.12,-26.75,;9.63,-27.1,;9.19,-28.58,;7.69,-28.94,;6.63,-27.82,;7.06,-26.35,;8.56,-25.99,;9,-24.51,;7.25,-30.41,;8.2,-31.63,;7.32,-32.91,;5.84,-32.47,;4.53,-33.27,;3.18,-32.54,;3.14,-31,;1.79,-30.27,;4.45,-30.19,;5.8,-30.93,)|
Show InChI InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1
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 1.60E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)

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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050759
PNG
(CHEMBL3317980)
Show SMILES CC(=O)N[C@H]1CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050719
PNG
(CHEMBL3317970)
Show SMILES Fc1cnc(nc1NC1CCCCC1)-c1c[nH]c2ncc(Cl)cc12
Show InChI InChI=1S/C17H17ClFN5/c18-10-6-12-13(8-21-15(12)20-7-10)16-22-9-14(19)17(24-16)23-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,20,21)(H,22,23,24)
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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050722
PNG
(CHEMBL3317974)
Show SMILES CS(=O)(=O)N1CCCC[C@@H]1CNc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C18H20ClFN6O2S/c1-29(27,28)26-5-3-2-4-12(26)8-22-18-15(20)10-24-17(25-18)14-9-23-16-13(14)6-11(19)7-21-16/h6-7,9-10,12H,2-5,8H2,1H3,(H,21,23)(H,22,24,25)/t12-/m1/s1
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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050760
PNG
(CHEMBL3317981)
Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
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n/an/an/a 70n/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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050717
PNG
(CHEMBL3317991)
Show SMILES Cn1cncc1C(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r|
Show InChI InChI=1S/C22H22F2N8O/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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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
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
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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050701
PNG
(CHEMBL3317986)
Show SMILES CN(C)C(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r|
Show InChI InChI=1S/C20H23F2N7O/c1-29(2)20(30)27-13-5-3-4-12(7-13)26-19-16(22)10-25-18(28-19)15-9-24-17-14(15)6-11(21)8-23-17/h6,8-10,12-13H,3-5,7H2,1-2H3,(H,23,24)(H,27,30)(H,25,26,28)/t12-,13+/m0/s1
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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
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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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
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
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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050702
PNG
(CHEMBL3317999)
Show SMILES NC(=O)[C@H]1CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C18H18ClFN6O/c19-9-5-11-12(7-23-16(11)22-6-9)17-24-8-13(20)18(26-17)25-14-4-2-1-3-10(14)15(21)27/h5-8,10,14H,1-4H2,(H2,21,27)(H,22,23)(H,24,25,26)/t10-,14-/m0/s1
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n/an/an/a 30n/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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050703
PNG
(CHEMBL3318000)
Show SMILES OC(=O)[C@H]1CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C18H17ClFN5O2/c19-9-5-11-12(7-22-15(11)21-6-9)16-23-8-13(20)17(25-16)24-14-4-2-1-3-10(14)18(26)27/h5-8,10,14H,1-4H2,(H,21,22)(H,26,27)(H,23,24,25)/t10-,14-/m0/s1
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n/an/an/a<2n/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
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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		3D
3D Structure (crystal)
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 |r|
Show InChI InChI=1S/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-/m1/s1
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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050697
PNG
(CHEMBL3317982)
Show SMILES COCC(=O)N[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C20H22ClFN6O2/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
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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050708
PNG
(CHEMBL3318004)
Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@H]([C@H]2Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(O)=O |r|
Show InChI InChI=1S/C19H17ClFN5O2/c20-10-4-11-12(6-23-16(11)22-5-10)17-24-7-13(21)18(26-17)25-15-9-2-1-8(3-9)14(15)19(27)28/h4-9,14-15H,1-3H2,(H,22,23)(H,27,28)(H,24,25,26)/t8-,9+,14+,15+/m1/s1
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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050750
PNG
(CHEMBL3317975)
Show SMILES COCCC(=O)N1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C20H22ClFN6O2/c1-30-6-4-17(29)28-5-2-3-13(11-28)26-20-16(22)10-25-19(27-20)15-9-24-18-14(15)7-12(21)8-23-18/h7-10,13H,2-6,11H2,1H3,(H,23,24)(H,25,26,27)/t13-/m0/s1
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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050757
PNG
(CHEMBL3317978)
Show SMILES N[C@H]1CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C17H18ClFN6/c18-9-5-10-11(7-22-15(10)21-6-9)16-23-8-12(19)17(25-16)24-14-4-2-1-3-13(14)20/h5-8,13-14H,1-4,20H2,(H,21,22)(H,23,24,25)/t13-,14-/m0/s1
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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050758
PNG
(CHEMBL3317979)
Show SMILES N[C@@H]1CCCC[C@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
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n/an/an/a 4.90E+3n/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
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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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050709
PNG
(CHEMBL3318005)
Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@@H]([C@H]2Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(O)=O |r|
Show InChI InChI=1S/C19H17ClFN5O2/c20-10-4-11-12(6-23-16(11)22-5-10)17-24-7-13(21)18(26-17)25-15-9-2-1-8(3-9)14(15)19(27)28/h4-9,14-15H,1-3H2,(H,22,23)(H,27,28)(H,24,25,26)/t8-,9+,14-,15-/m0/s1
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n/an/an/a<2n/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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050714
PNG
(CHEMBL3317988)
Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4CCC[C@H](C4)NC(=O)N4CCOCC4)n3)c2c1 |r|
Show InChI InChI=1S/C22H25F2N7O2/c23-13-8-16-17(11-26-19(16)25-10-13)20-27-12-18(24)21(30-20)28-14-2-1-3-15(9-14)29-22(32)31-4-6-33-7-5-31/h8,10-12,14-15H,1-7,9H2,(H,25,26)(H,29,32)(H,27,28,30)/t14-,15+/m0/s1
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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)


Article DOI: 10.1021/jm5007275
BindingDB Entry DOI: 10.7270/Q2R21316
More data for this
Ligand-Target Pair
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050756
PNG
(CHEMBL3317977)
Show SMILES NC(=O)CN1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C18H19ClFN7O/c19-10-4-12-13(6-23-16(12)22-5-10)17-24-7-14(20)18(26-17)25-11-2-1-3-27(8-11)9-15(21)28/h4-7,11H,1-3,8-9H2,(H2,21,28)(H,22,23)(H,24,25,26)/t11-/m0/s1
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n/an/an/a 80n/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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050705
PNG
(CHEMBL3318001)
Show SMILES C[C@@]1(CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(O)=O |r|
Show InChI InChI=1S/C19H19ClFN5O2/c1-19(18(27)28)5-3-2-4-14(19)25-17-13(21)9-24-16(26-17)12-8-23-15-11(12)6-10(20)7-22-15/h6-9,14H,2-5H2,1H3,(H,22,23)(H,27,28)(H,24,25,26)/t14-,19-/m0/s1
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n/an/an/a<2n/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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050706
PNG
(CHEMBL3318002)
Show SMILES C[C@@]1(CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12)C(O)=O |r|
Show InChI InChI=1S/C19H19F2N5O2/c1-19(18(27)28)5-3-2-4-14(19)25-17-13(21)9-24-16(26-17)12-8-23-15-11(12)6-10(20)7-22-15/h6-9,14H,2-5H2,1H3,(H,22,23)(H,27,28)(H,24,25,26)/t14-,19-/m0/s1
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n/an/an/a<2n/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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050713
PNG
(CHEMBL3317987)
Show SMILES Fc1cnc(nc1N[C@H]1CCC[C@H](C1)NC(=O)N1CCOCC1)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C22H25ClFN7O2/c23-13-8-16-17(11-26-19(16)25-10-13)20-27-12-18(24)21(30-20)28-14-2-1-3-15(9-14)29-22(32)31-4-6-33-7-5-31/h8,10-12,14-15H,1-7,9H2,(H,25,26)(H,29,32)(H,27,28,30)/t14-,15+/m0/s1
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n/an/an/a 500n/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
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 |r|
Show InChI InChI=1S/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+/m0/s1
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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)


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


Article DOI: 10.1021/jm5007275
BindingDB Entry DOI: 10.7270/Q2R21316
More data for this
Ligand-Target Pair
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050754
PNG
(CHEMBL3317976)
Show SMILES OC[C@H](O)CN1CCC[C@@H](C1)Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C19H22ClFN6O2/c20-11-4-14-15(6-23-17(14)22-5-11)18-24-7-16(21)19(26-18)25-12-2-1-3-27(8-12)9-13(29)10-28/h4-7,12-13,28-29H,1-3,8-10H2,(H,22,23)(H,24,25,26)/t12-,13+/m0/s1
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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)


Article DOI: 10.1021/jm5007275
BindingDB Entry DOI: 10.7270/Q2R21316
More data for this
Ligand-Target Pair
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050700
PNG
(CHEMBL3317985)
Show SMILES Fc1cnc(nc1N[C@H]1CCC[C@H](C1)NC(=O)CN1CCOCC1)-c1c[nH]c2ncc(Cl)cc12 |r|
Show InChI InChI=1S/C23H27ClFN7O2/c24-14-8-17-18(11-27-21(17)26-10-14)22-28-12-19(25)23(31-22)30-16-3-1-2-15(9-16)29-20(33)13-32-4-6-34-7-5-32/h8,10-12,15-16H,1-7,9,13H2,(H,26,27)(H,29,33)(H,28,30,31)/t15-,16+/m1/s1
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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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50050710
PNG
(CHEMBL3318006)
Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r,wU:3.2,wD:10.12,(29.25,-16.63,;27.75,-17,;26.69,-15.88,;27.31,-18.47,;28.37,-19.59,;27.93,-21.07,;26.43,-21.42,;25.38,-20.31,;26.46,-19.21,;26.86,-20.7,;25.82,-18.84,;24.76,-17.72,;23.26,-18.08,;22.83,-19.55,;21.33,-19.91,;20.27,-18.8,;20.71,-17.32,;22.2,-16.96,;22.64,-15.49,;20.89,-21.39,;21.83,-22.61,;20.96,-23.89,;19.49,-23.45,;18.17,-24.25,;16.82,-23.52,;16.78,-21.98,;15.43,-21.24,;18.09,-21.17,;19.44,-21.91,)|
Show InChI InChI=1S/C20H19ClFN5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1
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n/an/an/a<5n/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
* indicates data uncertainty>20%