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PubMed code 24941437

Compile data set for download or QSAR
Found 11 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
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


(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


(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)))		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


(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
* indicates data uncertainty>20%