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Compile Data Set for Download or QSAR

Found 30 hits of ic50 data for polymerid = 50006638   
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
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50500845
PNG
(3-Azoniaspiro[5.5]Undecane Chloride | CHEMBL204131...)
Show SMILES Cl.C1CCC2(CC1)CCNCC2
Show InChI InChI=1S/C10H19N/c1-2-4-10(5-3-1)6-8-11-9-7-10/h11H,1-9H2
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n/an/a 900n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus wild type M2 proton channel infected in Xenopus laevis oocytes after 2 mins by TEVC assay


J Med Chem 59: 1207-16 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01910
BindingDB Entry DOI: 10.7270/Q2988B1S
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50020755
PNG
(CHEMBL3286977)
Show SMILES Cl.C1CC2C1C1CCC2C2CNCC12 |TLB:12:13:6.7:3.4,1:4:6.7:13.9,2:3:6.7:13.9,THB:10:9:6.7:3.4|
Show InChI InChI=1S/C12H19N.ClH/c1-2-8-7(1)9-3-4-10(8)12-6-13-5-11(9)12;/h7-13H,1-6H2;1H
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n/an/a 1.24E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...


J Med Chem 57: 5738-47 (2014)


Article DOI: 10.1021/jm5005804
BindingDB Entry DOI: 10.7270/Q23N24Z2
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50020751
PNG
(CHEMBL3286971)
Show SMILES Cl.NC(=N)N1CC2C(C1)C1C=CC2C2CC12 |c:10,TLB:5:6:10.11:13.15,THB:8:7:10.11:13.15,14:15:10.11:7.6|
Show InChI InChI=1S/C12H17N3.ClH/c13-12(14)15-4-10-6-1-2-7(11(10)5-15)9-3-8(6)9;/h1-2,6-11H,3-5H2,(H3,13,14);1H
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...


J Med Chem 57: 5738-47 (2014)


Article DOI: 10.1021/jm5005804
BindingDB Entry DOI: 10.7270/Q23N24Z2
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50020753
PNG
(CHEMBL3286973)
Show SMILES Cl.NC(=N)N1CC2C(C1)C1CCC2C2CC12 |TLB:5:6:10.11:13.15,THB:8:7:10.11:13.15,14:15:10.11:7.6|
Show InChI InChI=1S/C12H19N3.ClH/c13-12(14)15-4-10-6-1-2-7(11(10)5-15)9-3-8(6)9;/h6-11H,1-5H2,(H3,13,14);1H
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n/an/a 1.64E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...


J Med Chem 57: 5738-47 (2014)


Article DOI: 10.1021/jm5005804
BindingDB Entry DOI: 10.7270/Q23N24Z2
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50266584
PNG
(CHEMBL4074389)
Show SMILES NC(=N)N1CCC(CC1)C12CC3CC(CC(C3)C1)C2 |THB:17:9:12:16.14.15,17:15:12:18.9.10,6:9:12:16.14.15,14:13:10:16.17.15,14:15:18.12.13:10|
Show InChI InChI=1S/C16H27N3/c17-15(18)19-3-1-14(2-4-19)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,1-10H2,(H3,17,18)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 after 2 mins at -20 mV holding p...


J Med Chem 60: 3727-3738 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01758
BindingDB Entry DOI: 10.7270/Q2WH2SGD
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50020854
PNG
(CHEMBL3286978)
Show SMILES Cl.NC(=N)N1CC2C(C1)C1CCC2C2CCC12 |TLB:8:7:11.10:16.13,THB:5:6:11.10:16.13,14:13:11.10:6.7,15:16:11.10:6.7|
Show InChI InChI=1S/C13H21N3.ClH/c14-13(15)16-5-11-9-3-4-10(12(11)6-16)8-2-1-7(8)9;/h7-12H,1-6H2,(H3,14,15);1H
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n/an/a 2.08E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...


J Med Chem 57: 5738-47 (2014)


Article DOI: 10.1021/jm5005804
BindingDB Entry DOI: 10.7270/Q23N24Z2
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50020750
PNG
(CHEMBL3286970)
Show SMILES Cl.C1C2C1C1C=CC2C2CNCC12 |c:5,TLB:11:12:5.6:2.3,1:3:5.6:12.8,THB:9:8:5.6:2.3|
Show InChI InChI=1S/C11H15N.ClH/c1-2-7-9-3-8(9)6(1)10-4-12-5-11(7)10;/h1-2,6-12H,3-5H2;1H
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n/an/a 2.92E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...


J Med Chem 57: 5738-47 (2014)


Article DOI: 10.1021/jm5005804
BindingDB Entry DOI: 10.7270/Q23N24Z2
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50020752
PNG
(CHEMBL3286972)
Show SMILES Cl.C1C2C1C1CCC2C2CNCC12 |TLB:11:12:5.6:2.3,1:3:5.6:12.8,THB:9:8:5.6:2.3|
Show InChI InChI=1S/C11H17N.ClH/c1-2-7-9-3-8(9)6(1)10-4-12-5-11(7)10;/h6-12H,1-5H2;1H
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n/an/a 3.38E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...


J Med Chem 57: 5738-47 (2014)


Article DOI: 10.1021/jm5005804
BindingDB Entry DOI: 10.7270/Q23N24Z2
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50465108
PNG
(CHEMBL4277543)
Show SMILES CC(C)(N)C12CC3CC(CC(C3)C1)C2 |TLB:7:8:12:5.6.11,THB:7:6:12:13.8.9,9:8:5:12.10.11,9:10:5:13.8.7|
Show InChI InChI=1S/C13H23N/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8,14H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at...


ACS Med Chem Lett 9: 198-203 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00458
BindingDB Entry DOI: 10.7270/Q2GQ71F3
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50266582
PNG
(CHEMBL4104405)
Show SMILES C1CC(CCN1)C12CC3CC(CC(C3)C1)C2 |TLB:2:6:9.8.13:11,THB:7:8:11:15.6.14,7:6:9.8.13:11,14:6:9:13.12.11,14:12:9:15.7.6,2:6:9:13.12.11|
Show InChI InChI=1S/C15H25N/c1-3-16-4-2-14(1)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,16H,1-10H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 after 2 mins at -20 mV holding p...


J Med Chem 60: 3727-3738 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01758
BindingDB Entry DOI: 10.7270/Q2WH2SGD
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50266585
PNG
(CHEMBL4096027)
Show SMILES NC(=N)N1CCC(CC2C3CC4CC(C3)CC2C4)CC1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:7:8:12.13.15:17,8:9:12:15.16.17,8:16:12:10.14.9,(19.9,-16.99,;18.61,-17.82,;18.69,-19.37,;17.23,-17.12,;15.94,-17.96,;14.57,-17.26,;14.49,-15.73,;13.12,-15.03,;11.83,-15.89,;11.82,-17.42,;10.42,-17.76,;9.09,-17.27,;7.89,-18.55,;9.4,-18.13,;10.81,-18.69,;9.39,-16.54,;10.43,-15.31,;9.09,-15.79,;15.78,-14.88,;17.15,-15.58,)|
Show InChI InChI=1S/C17H29N3/c18-17(19)20-3-1-11(2-4-20)10-16-14-6-12-5-13(8-14)9-15(16)7-12/h11-16H,1-10H2,(H3,18,19)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 after 2 mins at -20 mV holding p...


J Med Chem 60: 3727-3738 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01758
BindingDB Entry DOI: 10.7270/Q2WH2SGD
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50033369
PNG
(AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL)
Show SMILES NC12CC3CC(CC(C3)C1)C2 |THB:6:5:2:8.7.9,6:7:4.5.10:2,9:7:4:10.1.2,9:1:4:8.6.7,0:1:4:8.6.7|
Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
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n/an/a 4.70E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at...


ACS Med Chem Lett 9: 198-203 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00458
BindingDB Entry DOI: 10.7270/Q2GQ71F3
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50020844
PNG
(CHEMBL3286403)
Show SMILES Cl.NC(=N)N1CC2C(C1)C1C=CC2C2C=CC12 |c:10,15,TLB:5:6:10.11:13.16,THB:8:7:10.11:13.16,15:16:10.11:7.6,14:13:10.11:7.6|
Show InChI InChI=1S/C13H17N3.ClH/c14-13(15)16-5-11-9-3-4-10(12(11)6-16)8-2-1-7(8)9;/h1-4,7-12H,5-6H2,(H3,14,15);1H
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n/an/a 4.93E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...


J Med Chem 57: 5738-47 (2014)


Article DOI: 10.1021/jm5005804
BindingDB Entry DOI: 10.7270/Q23N24Z2
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50020754
PNG
(CHEMBL3286976)
Show SMILES Cl.C1NCC2C1C1C=CC2C2C=CC12 |c:7,12,TLB:1:5:8.7:13.10,THB:3:4:8.7:13.10,11:10:8.7:4.5,12:13:8.7:4.5|
Show InChI InChI=1S/C12H15N.ClH/c1-2-8-7(1)9-3-4-10(8)12-6-13-5-11(9)12;/h1-4,7-13H,5-6H2;1H
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n/an/a 5.54E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...


J Med Chem 57: 5738-47 (2014)


Article DOI: 10.1021/jm5005804
BindingDB Entry DOI: 10.7270/Q23N24Z2
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50266586
PNG
(CHEMBL4061974)
Show SMILES NC(=N)N1CCC(CC1)C=C1C2CC3CC(C2)CC1C3 |TLB:16:15:19:12.11.10,16:11:14.15.17:19,THB:9:10:14.15.17:19,10:11:14:17.18.19,10:18:14:12.16.11,(19.9,-16.99,;18.61,-17.82,;18.69,-19.37,;17.23,-17.12,;15.94,-17.96,;14.57,-17.26,;14.49,-15.73,;15.78,-14.88,;17.15,-15.58,;13.12,-15.03,;11.83,-15.89,;11.82,-17.42,;10.42,-17.76,;9.09,-17.27,;7.89,-18.55,;9.4,-18.13,;10.81,-18.69,;9.39,-16.54,;10.43,-15.31,;9.09,-15.79,)|
Show InChI InChI=1S/C17H27N3/c18-17(19)20-3-1-11(2-4-20)10-16-14-6-12-5-13(8-14)9-15(16)7-12/h10-15H,1-9H2,(H3,18,19)/b16-10-
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n/an/a 6.80E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 after 2 mins at -20 mV holding p...


J Med Chem 60: 3727-3738 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01758
BindingDB Entry DOI: 10.7270/Q2WH2SGD
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50465108
PNG
(CHEMBL4277543)
Show SMILES CC(C)(N)C12CC3CC(CC(C3)C1)C2 |TLB:7:8:12:5.6.11,THB:7:6:12:13.8.9,9:8:5:12.10.11,9:10:5:13.8.7|
Show InChI InChI=1S/C13H23N/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8,14H2,1-2H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at...


ACS Med Chem Lett 9: 198-203 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00458
BindingDB Entry DOI: 10.7270/Q2GQ71F3
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50020857
PNG
(CHEMBL3286980)
Show SMILES Cl.CC12CC34CN(CC33CC1(C)C(C)(C3)C2(C)C4)C(N)=N |TLB:15:12:9:4.2.3,17:4:9:12.14,1:2:9:12.14,THB:13:12:9:4.2.3,5:4:9:12.14,15:2:9:12.14,(21.82,-53.44,;5.86,-53.14,;6.94,-54.22,;9,-55.42,;11.11,-54.2,;12.58,-53.76,;13.48,-55,;12.58,-56.23,;11.11,-55.74,;8.8,-56.44,;6.97,-55.72,;5.6,-56.5,;8.47,-55.72,;8.08,-57.25,;9.82,-56.49,;8.47,-54.22,;8.08,-52.74,;9.81,-53.45,;15.2,-55,;16.05,-56.48,;16.05,-53.51,)|
Show InChI InChI=1S/C17H27N3.ClH/c1-12-5-16-6-13(12,2)15(4)8-17(16,7-14(12,15)3)10-20(9-16)11(18)19;/h5-10H2,1-4H3,(H3,18,19);1H
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n/an/a 1.07E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...


J Med Chem 57: 5738-47 (2014)


Article DOI: 10.1021/jm5005804
BindingDB Entry DOI: 10.7270/Q23N24Z2
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50216627
PNG
((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)
Show SMILES CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
Show InChI InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at...


ACS Med Chem Lett 9: 198-203 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00458
BindingDB Entry DOI: 10.7270/Q2GQ71F3
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50033369
PNG
(AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL)
Show SMILES NC12CC3CC(CC(C3)C1)C2 |THB:6:5:2:8.7.9,6:7:4.5.10:2,9:7:4:10.1.2,9:1:4:8.6.7,0:1:4:8.6.7|
Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
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n/an/a 1.25E+4n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at...


ACS Med Chem Lett 9: 198-203 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00458
BindingDB Entry DOI: 10.7270/Q2GQ71F3
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50465104
PNG
(CHEMBL4284791)
Show SMILES CCC(N)(CC)C12CC3CC(CC(C3)C1)C2 |TLB:9:10:14:7.8.13,THB:9:8:14:15.10.11,11:10:7:14.12.13,11:12:7:15.10.9|
Show InChI InChI=1S/C15H27N/c1-3-15(16,4-2)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,3-10,16H2,1-2H3
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n/an/a 1.32E+4n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at...


ACS Med Chem Lett 9: 198-203 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00458
BindingDB Entry DOI: 10.7270/Q2GQ71F3
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50033369
PNG
(AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL)
Show SMILES NC12CC3CC(CC(C3)C1)C2 |THB:6:5:2:8.7.9,6:7:4.5.10:2,9:7:4:10.1.2,9:1:4:8.6.7,0:1:4:8.6.7|
Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
PDB

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n/an/a 1.60E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...


J Med Chem 57: 5738-47 (2014)


Article DOI: 10.1021/jm5005804
BindingDB Entry DOI: 10.7270/Q23N24Z2
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50033369
PNG
(AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL)
Show SMILES NC12CC3CC(CC(C3)C1)C2 |THB:6:5:2:8.7.9,6:7:4.5.10:2,9:7:4:10.1.2,9:1:4:8.6.7,0:1:4:8.6.7|
Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
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n/an/a 1.61E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus wild type M2 proton channel infected in Xenopus laevis oocytes after 2 mins by TEVC assay


J Med Chem 59: 1207-16 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01910
BindingDB Entry DOI: 10.7270/Q2988B1S
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50020855
PNG
(CHEMBL3286979)
Show SMILES Cl.CC12CC34CNCC33CC1(C)C(C)(C3)C2(C)C4 |TLB:15:12:9:4.2.3,17:4:9:12.14,1:2:9:12.14,THB:13:12:9:4.2.3,5:4:9:12.14,15:2:9:12.14,(12.35,-45.55,;1.02,-47.15,;2.11,-48.23,;4.17,-49.43,;6.28,-48.21,;7.75,-47.77,;8.65,-49.01,;7.75,-50.25,;6.27,-49.75,;3.97,-50.39,;2.14,-49.73,;.77,-50.51,;3.64,-49.73,;3.25,-51.26,;4.99,-50.51,;3.64,-48.23,;3.25,-46.75,;4.98,-47.46,)|
Show InChI InChI=1S/C16H25N.ClH/c1-11-5-15-6-12(11,2)14(4)8-16(15,10-17-9-15)7-13(11,14)3;/h17H,5-10H2,1-4H3;1H
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n/an/a 1.80E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured ove...


J Med Chem 57: 5738-47 (2014)


Article DOI: 10.1021/jm5005804
BindingDB Entry DOI: 10.7270/Q23N24Z2
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50500846
PNG
(CHEMBL3770480)
Show SMILES NC1CCC2(CC1)C1CC3CC(C1)CC2C3 |THB:4:7:10:13.14.15,4:14:10:8.12.7,13:11:8:4.14.15,13:14:8:10.11.12|
Show InChI InChI=1S/C15H25N/c16-14-1-3-15(4-2-14)12-6-10-5-11(8-12)9-13(15)7-10/h10-14H,1-9,16H2
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n/an/a 1.87E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus wild type M2 proton channel infected in Xenopus laevis oocytes after 2 mins by TEVC assay


J Med Chem 59: 1207-16 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01910
BindingDB Entry DOI: 10.7270/Q2988B1S
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50465104
PNG
(CHEMBL4284791)
Show SMILES CCC(N)(CC)C12CC3CC(CC(C3)C1)C2 |TLB:9:10:14:7.8.13,THB:9:8:14:15.10.11,11:10:7:14.12.13,11:12:7:15.10.9|
Show InChI InChI=1S/C15H27N/c1-3-15(16,4-2)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,3-10,16H2,1-2H3
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n/an/a 2.43E+4n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at...


ACS Med Chem Lett 9: 198-203 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00458
BindingDB Entry DOI: 10.7270/Q2GQ71F3
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50462117
PNG
(CHEMBL2311603)
Show SMILES Cl.[#7]-[#6]-1-[#6]-[#6][Si;v4]2([#6]-[#6]-[#6]-[#6]-[#6]2)[#6]-[#6]-1
Show InChI InChI=1S/C10H21NSi/c11-10-4-8-12(9-5-10)6-2-1-3-7-12/h10H,1-9,11H2
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n/an/a 3.13E+4n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus M2 V27A mutant expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 61: 3779-3798 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00718
BindingDB Entry DOI: 10.7270/Q2GT5QTK
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50266583
PNG
(CHEMBL4094873)
Show SMILES C1CC(CCN1)C1C2CC3CC(C2)CC1C3 |TLB:12:11:15:8.7.6,12:7:10.11.13:15,THB:2:6:10.11.13:15,6:7:10:13.14.15,6:14:10:8.12.7,(15.17,-15.21,;13.89,-16.06,;12.51,-15.36,;12.4,-13.83,;13.7,-12.98,;15.08,-13.67,;11.22,-16.22,;11.21,-17.75,;9.81,-18.1,;8.47,-17.61,;7.27,-18.89,;8.78,-18.47,;10.19,-19.03,;8.77,-16.87,;9.82,-15.64,;8.47,-16.12,)|
Show InChI InChI=1S/C15H25N/c1-3-16-4-2-12(1)15-13-6-10-5-11(8-13)9-14(15)7-10/h10-16H,1-9H2
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n/an/a 4.53E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 after 2 mins at -20 mV holding p...


J Med Chem 60: 3727-3738 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01758
BindingDB Entry DOI: 10.7270/Q2WH2SGD
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50462124
PNG
(CHEMBL2041317)
Show SMILES Cl.NC1CCC2(CCCCC2)CC1
Show InChI InChI=1S/C11H21N/c12-10-4-8-11(9-5-10)6-2-1-3-7-11/h10H,1-9,12H2
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n/an/a 8.49E+4n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus M2 V27A mutant expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 61: 3779-3798 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00718
BindingDB Entry DOI: 10.7270/Q2GT5QTK
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50462126
PNG
(CHEMBL2311602)
Show SMILES Cl.[#7]-[#6]-1-[#6]-[#6][Si;v4]2([#6]-[#6]-[#6]-[#6]2)[#6]-[#6]-1
Show InChI InChI=1S/C9H19NSi/c10-9-3-7-11(8-4-9)5-1-2-6-11/h9H,1-8,10H2
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n/an/a 9.63E+4n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus M2 V27A mutant expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 61: 3779-3798 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00718
BindingDB Entry DOI: 10.7270/Q2GT5QTK
More data for this
Ligand-Target Pair
Matrix protein 2


(Influenza A virus (A/Udorn/307/1972(H3N2)))
BDBM50462125
PNG
(CHEMBL2311604)
Show SMILES Cl.NC1CCC2(CCCC2)CC1
Show InChI InChI=1S/C10H19N/c11-9-3-7-10(8-4-9)5-1-2-6-10/h9H,1-8,11H2
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n/an/a 3.19E+5n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus M2 V27A mutant expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 61: 3779-3798 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00718
BindingDB Entry DOI: 10.7270/Q2GT5QTK
More data for this
Ligand-Target Pair