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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'lamb' and Initial = 'ra'   
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 [1-96]


(Influenza A virus)
BDBM50494442
PNG
(CHEMBL3088292)
Show SMILES Cl.NC(=N)N1CC23CC45CC2(C1)CC4(C3)CCCC5 |TLB:15:13:7:10.9,11:10:7:13.14,THB:12:13:7:10.9,12:10:7:13.14,(50.7,-47.54,;53.17,-52.02,;51.8,-51.23,;51.8,-49.65,;50.4,-52.03,;49.04,-52.9,;47.7,-52.6,;47.41,-51.36,;45.66,-51.59,;48.14,-52.14,;48.19,-53.62,;49.64,-53.97,;47.19,-54.69,;45.6,-53.35,;46.88,-53.99,;44.15,-53.86,;42.87,-53.12,;42.95,-51.41,;44.34,-50.75,)|
Show InChI InChI=1S/C15H23N3/c16-11(17)18-9-14-5-12-3-1-2-4-13(12,7-14)8-15(14,6-12)10-18/h1-10H2,(H3,16,17)
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n/an/a 290n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus Udorn/72 M2 ion channel V27A mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...


J Med Chem 56: 9265-74 (2013)


Article DOI: 10.1021/jm401340p
BindingDB Entry DOI: 10.7270/Q2HH6P00
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)))
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 [1-96]


(Influenza A virus)
BDBM50343543
PNG
(CHEMBL499125 | N-(Hexahydro-2,5-methano-pentalen-3...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]C12[#6]-[#6]-3-[#6]-[#6]1-[#6]-[#6](-[#6]2)-[#6]-3 |TLB:10:9:13.11.12:6,THB:10:11:8.9:6|
Show InChI InChI=1S/C11H19N3/c12-10(13)14-6-11-4-7-1-8(5-11)3-9(11)2-7/h7-9H,1-6H2,(H4,12,13,14)
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n/an/a 2.40E+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 matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
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)))
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 [1-96]


(Influenza A virus)
BDBM50343541
PNG
(C-(Hexahydro-2,5-methano-pentalen-3a-yl)-methylami...)
Show SMILES NCC12CC3CC1CC(C2)C3 |TLB:3:2:10.4.5:7,THB:3:4:7:9.2,1:2:10.4.5:7|
Show InChI InChI=1S/C10H17N/c11-6-10-4-7-1-8(5-10)3-9(10)2-7/h7-9H,1-6,11H2
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n/an/a 7.10E+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 matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50343546
PNG
(C-(2,5-Dimethyl-hexahydro-2,5-cyclo-pentalen-3a-yl...)
Show SMILES CC12CC3CC1(C)CC3(CN)C2 |TLB:9:8:5.4:2,THB:7:5:2:11.8,7:8:5.4:2|
Show InChI InChI=1S/C11H19N/c1-9-3-8-4-10(9,2)6-11(8,5-9)7-12/h8H,3-7,12H2,1-2H3
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n/an/a 7.20E+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 matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
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 [1-96]


(Influenza A virus)
BDBM50494443
PNG
(CHEMBL3088163)
Show SMILES Cl.CC12CC34CN(CC3(C1)CC2(C)C4)C(N)=N |TLB:9:8:13:2.3,12:11:3:8.9,THB:10:8:3:13.11,10:11:3:8.9,7:8:3:13.11,(13.43,-20.11,;7.65,-22.98,;8.69,-24.11,;10.85,-24.66,;10.91,-26.2,;12.42,-26.57,;13.22,-24.55,;11.79,-25.45,;10.4,-25.15,;10.1,-23.84,;9.54,-26.6,;8.15,-25.98,;6.69,-26.45,;9.86,-27.32,;14.68,-23.71,;16.11,-24.53,;14.68,-22.06,)|
Show InChI InChI=1S/C13H21N3/c1-10-3-12-5-11(10,2)6-13(12,4-10)8-16(7-12)9(14)15/h3-8H2,1-2H3,(H3,14,15)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus Udorn/72 M2 ion channel V27A mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...


J Med Chem 56: 9265-74 (2013)


Article DOI: 10.1021/jm401340p
BindingDB Entry DOI: 10.7270/Q2HH6P00
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50343544
PNG
(CHEMBL1774313 | rac-1-(Hexahydro-2,5-methano-penta...)
Show SMILES CC(N)C12CC3CC1CC(C2)C3 |TLB:8:7:11.9.10:4,THB:8:9:4:6.7|
Show InChI InChI=1S/C11H19N/c1-7(12)11-5-8-2-9(6-11)4-10(11)3-8/h7-10H,2-6,12H2,1H3
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n/an/a 1.27E+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 matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50494444
PNG
(CHEMBL3088168)
Show SMILES Cl.CCC12CC34CN(CC3(C1)CC2(CC)C4)C(N)=N |TLB:13:12:4:9.10,10:9:15:3.4,THB:11:9:4:15.12,11:12:4:9.10,8:9:4:15.12,(38.18,-45.8,;33.92,-47.33,;33.78,-48.86,;35.04,-49.75,;37.06,-50.27,;37.11,-51.7,;38.53,-52.05,;39.28,-50.16,;37.94,-51,;36.64,-50.72,;36.36,-49.5,;35.84,-52.07,;34.54,-51.5,;33,-51.46,;32.26,-50.11,;36.14,-52.75,;40.64,-49.37,;41.98,-50.14,;40.64,-47.83,)|
Show InChI InChI=1S/C15H25N3/c1-3-12-5-14-7-13(12,4-2)8-15(14,6-12)10-18(9-14)11(16)17/h3-10H2,1-2H3,(H3,16,17)
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n/an/a 1.38E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus Udorn/72 M2 ion channel V27A mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...


J Med Chem 56: 9265-74 (2013)


Article DOI: 10.1021/jm401340p
BindingDB Entry DOI: 10.7270/Q2HH6P00
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 1.60E+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 [1-96]


(Influenza A virus)
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 1.60E+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 matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50343545
PNG
(2,5-Dimethyl-hexahydro-2,5-cyclo-pentalen-3a-ylami...)
Show SMILES CC12CC3CC1(C)CC3(N)C2 |TLB:9:8:5.4:2,THB:7:5:2:10.8,7:8:5.4:2|
Show InChI InChI=1S/C10H17N/c1-8-3-7-4-9(8,2)6-10(7,11)5-8/h7H,3-6,11H2,1-2H3
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n/an/a 1.70E+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 matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50343542
PNG
((Hexahydro-2,5-methano-pentalen-3a-ylmethyl)-methy...)
Show SMILES CNCC12CC3CC1CC(C2)C3 |TLB:4:3:11.5.6:8,THB:4:5:8:10.3,2:3:11.5.6:8|
Show InChI InChI=1S/C11H19N/c1-12-7-11-5-8-2-9(6-11)4-10(11)3-8/h8-10,12H,2-7H2,1H3
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n/an/a 1.71E+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 matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
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 [1-96]


(Influenza A virus)
BDBM50494441
PNG
(CHEMBL3088169)
Show SMILES OC(C(O)C(O)=O)C(O)=O.C1NCC23CC45CC12CC4(C3)CCCC5 |TLB:16:17:20:14.15,24:15:18.17:20,THB:16:15:18.17:20,10:17:20:14.15,(18.14,-17.63,;18.16,-19.22,;19.49,-19.99,;19.51,-21.58,;20.83,-19.22,;22.24,-20,;20.88,-17.63,;16.82,-19.99,;15.41,-19.21,;16.77,-21.58,;12.04,-22.62,;13.98,-22.9,;13.05,-21.75,;12.87,-20.55,;11.42,-20.1,;11.67,-18.74,;10.84,-20.53,;12.04,-21.21,;13.39,-20.85,;13.39,-18.74,;13.95,-20.01,;14.01,-17.39,;13.23,-16.04,;11.67,-16.04,;10.88,-17.39,)|
Show InChI InChI=1S/C14H21N/c1-2-4-12-7-13-5-11(12,3-1)6-14(13,8-12)10-15-9-13/h15H,1-10H2
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n/an/a 2.05E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus Udorn/72 M2 ion channel V27A mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...


J Med Chem 56: 9265-74 (2013)


Article DOI: 10.1021/jm401340p
BindingDB Entry DOI: 10.7270/Q2HH6P00
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50343548
PNG
(CHEMBL468166 | Methyl-(2-oxa-tricyclo[3.3.1.1(3,7)...)
Show SMILES CNC12CC3CC(CC(C3)O1)C2 |TLB:1:2:5:9.8.7,THB:3:4:7:11.2.10,3:2:5.4.9:7,10:2:5:9.8.7,10:8:5:11.3.2,1:2:5.4.9:7|
Show InChI InChI=1S/C10H17NO/c1-11-10-5-7-2-8(6-10)4-9(3-7)12-10/h7-9,11H,2-6H2,1H3
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n/an/a 2.29E+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 matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50343550
PNG
(3-Azaoctacyclo[8.7.0.0(1,5).0(5,13).0(6,11).0(7,9)...)
Show SMILES C1C2C1C1C3C2C24CNCC12C1C2CC2C4C31 |TLB:4:16:6.10:14.12,7:6:3:11.16,7:6:4:2.1,7:6:16:14.12,9:10:4:2.1,9:10:16:14.12,1:5:3:11.16,0:1:6.10:4,THB:13:14:6.10:16,13:12:6.10:16,3:10:16:14.12,5:6:16:14.12,11:10:4:2.1,15:6:3:11.16,15:16:3:6.5,15:6:4:2.1,16:4:6.10:2.1,0:2:6.10:4,12:11:3:6.5,12:11:3.4:6.15,(12.17,-33.82,;10.88,-33.93,;11.43,-32.76,;9.96,-31.9,;9.66,-30.39,;9.53,-33.24,;8.09,-33.96,;8.08,-35.63,;9.97,-36.43,;8.76,-34.97,;8.77,-32.74,;7.16,-31.93,;5.98,-32.77,;4.58,-32.79,;5.29,-34,;6.74,-33.27,;6.86,-30.42,)|
Show InChI InChI=1S/C16H19N/c1-5-6(1)12-9-10-13-7-2-8(7)14(10)16(12)4-17-3-15(13,16)11(5)9/h5-14,17H,1-4H2
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n/an/a 2.40E+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 matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50343547
PNG
((2-Oxaadamant-1-yl)amine | 2-Oxa-tricyclo[3.3.1.1(...)
Show SMILES NC12CC3CC(CC(C3)O1)C2 |TLB:0:1:4:8.7.6,THB:2:3:6:10.1.9,2:1:4.3.8:6,9:1:4:8.7.6,9:7:4:10.2.1,0:1:4.3.8:6|
Show InChI InChI=1S/C9H15NO/c10-9-4-6-1-7(5-9)3-8(2-6)11-9/h6-8H,1-5,10H2
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n/an/a 2.92E+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 matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50343549
PNG
(3-Azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,1...)
Show SMILES C1NCC23C4C=CC5C4C4C(C=CC24)C135 |c:5,12,TLB:4:3:11.12:9,7:14:11.12:9,6:7:4:13.9,0:14:4:13.9,0:14:8:5.6,2:3:8:5.6,THB:8:9:14.3:11.12,12:13:4:14.7,12:13:4.8:14.10,13:3:8:5.6,10:14:4:13.9,10:9:4:14.7,10:14:8:5.6,9:8:14.3:5.6,0:14:11.12:9,2:3:11.12:9,(27.24,-25.38,;29.04,-26.14,;27.89,-24.75,;27.89,-22.62,;29.02,-21.83,;30.43,-22.65,;29.91,-23.76,;28.62,-23.1,;28.74,-20.39,;26.08,-20.42,;25.96,-23.13,;24.58,-23.82,;25.23,-22.66,;26.36,-21.86,;27.24,-23.79,)|
Show InChI InChI=1S/C14H15N/c1-2-8-11-7(1)13-5-15-6-14(8,13)10-4-3-9(13)12(10)11/h1-4,7-12,15H,5-6H2
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n/an/a 3.35E+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 matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
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 2.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus Udorn/72 M2 ion channel S31N mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...


J Med Chem 56: 9265-74 (2013)


Article DOI: 10.1021/jm401340p
BindingDB Entry DOI: 10.7270/Q2HH6P00
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50343545
PNG
(2,5-Dimethyl-hexahydro-2,5-cyclo-pentalen-3a-ylami...)
Show SMILES CC12CC3CC1(C)CC3(N)C2 |TLB:9:8:5.4:2,THB:7:5:2:10.8,7:8:5.4:2|
Show InChI InChI=1S/C10H17N/c1-8-3-7-4-9(8,2)6-10(7,11)5-8/h7H,3-6,11H2,1-2H3
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n/an/a 2.52E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus Udorn/72 M2 ion channel S31N mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltag...


J Med Chem 56: 9265-74 (2013)


Article DOI: 10.1021/jm401340p
BindingDB Entry DOI: 10.7270/Q2HH6P00
More data for this
Ligand-Target Pair