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PubMed code 25899336

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 [1-96]


(Influenza A virus)		BDBM50080000
PNG
(CHEMBL3415952)
Show SMILES [H][C@@]12C3CC4[C@]1([H])[C@@]1([H])CN(C[C@@]1([H])[C@@]4([H])[C@@]23[H])C(N)=N |r,TLB:2:1:4:12.7,2:16:4:12.7,11:12:4:1.16,THB:3:4:1.16:12.7,12:14:5:2.3,7:5:2.3:16.14,9:7:4:1.16|
Show InChI InChI=1S/C12H17N3/c13-12(14)15-2-6-7(3-15)9-4-1-5-10(8(4)6)11(5)9/h4-11H,1-3H2,(H3,13,14)/t4?,5?,6-,7+,8+,9-,10+,11-
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n/an/a 800n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/1972(H3N2)) M2 channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode ...

Eur J Med Chem 96: 318-29 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.030
BindingDB Entry DOI: 10.7270/Q2B27X1P
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50079996
PNG
(CHEMBL3415948)
Show SMILES [H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CNC[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])CC[C@]2([H])[C@@]14[H] |r,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|
Show InChI InChI=1S/C16H21N/c1-2-6-10-9-5(1)11-12(6)16-14(10)8-4-17-3-7(8)13(9)15(11)16/h5-17H,1-4H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/1972(H3N2)) M2 channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode ...

Eur J Med Chem 96: 318-29 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.030
BindingDB Entry DOI: 10.7270/Q2B27X1P
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50079994
PNG
(CHEMBL3305169)
Show SMILES NC(=N)N1CC2C(C1)C1CCC2C2CCC12 |TLB:7:6:10.9:15.12,THB:4:5:10.9:15.12,13:12:10.9:5.6,14:15:10.9:5.6|
Show InChI InChI=1S/C13H21N3/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)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/1972(H3N2)) M2 channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode ...

Eur J Med Chem 96: 318-29 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.030
BindingDB Entry DOI: 10.7270/Q2B27X1P
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50079995
PNG
(CHEMBL3415947)
Show SMILES [H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CNC[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])C=C[C@]2([H])[C@@]14[H] |r,c:27,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|
Show InChI InChI=1S/C16H19N/c1-2-6-10-9-5(1)11-12(6)16-14(10)8-4-17-3-7(8)13(9)15(11)16/h1-2,5-17H,3-4H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/1972(H3N2)) M2 channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode ...

Eur J Med Chem 96: 318-29 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.030
BindingDB Entry DOI: 10.7270/Q2B27X1P
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50079999
PNG
(CHEMBL3415951)
Show SMILES [H][C@@]12C3CC4[C@]1([H])[C@@]1([H])CNC[C@@]1([H])[C@@]4([H])[C@@]23[H] |r,TLB:2:1:4:12.7,2:16:4:12.7,11:12:4:1.16,THB:3:4:1.16:12.7,12:14:5:2.3,7:5:2.3:16.14,9:7:4:1.16|
Show InChI InChI=1S/C11H15N/c1-4-8-6-2-12-3-7(6)9(4)11-5(1)10(8)11/h4-12H,1-3H2/t4?,5?,6-,7+,8+,9-,10+,11-
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/1972(H3N2)) M2 channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode ...

Eur J Med Chem 96: 318-29 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.030
BindingDB Entry DOI: 10.7270/Q2B27X1P
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50079997
PNG
(CHEMBL3415949)
Show SMILES [H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CN(C[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])CC[C@]2([H])[C@@]14[H])C(N)=N |r,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|
Show InChI InChI=1S/C17H23N3/c18-17(19)20-3-7-8(4-20)14-10-6-2-1-5-9(10)13(7)15-11(5)12(6)16(14)15/h5-16H,1-4H2,(H3,18,19)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/1972(H3N2)) M2 channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode ...

Eur J Med Chem 96: 318-29 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.030
BindingDB Entry DOI: 10.7270/Q2B27X1P
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50079998
PNG
(CHEMBL3415950)
Show SMILES [H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CN(C[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])C=C[C@]2([H])[C@@]14[H])C(N)=N |r,c:27,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|
Show InChI InChI=1S/C17H21N3/c18-17(19)20-3-7-8(4-20)14-10-6-2-1-5-9(10)13(7)15-11(5)12(6)16(14)15/h1-2,5-16H,3-4H2,(H3,18,19)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of wild type Influenza A virus (A/udorn/1972(H3N2)) M2 channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode ...

Eur J Med Chem 96: 318-29 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.030
BindingDB Entry DOI: 10.7270/Q2B27X1P
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50079996
PNG
(CHEMBL3415948)
Show SMILES [H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CNC[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])CC[C@]2([H])[C@@]14[H] |r,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|
Show InChI InChI=1S/C16H21N/c1-2-6-10-9-5(1)11-12(6)16-14(10)8-4-17-3-7(8)13(9)15(11)16/h5-17H,1-4H2
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n/an/a 1.72E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/udorn/1972(H3N2)) M2 V27A mutant channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrod...

Eur J Med Chem 96: 318-29 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.030
BindingDB Entry DOI: 10.7270/Q2B27X1P
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50079994
PNG
(CHEMBL3305169)
Show SMILES NC(=N)N1CC2C(C1)C1CCC2C2CCC12 |TLB:7:6:10.9:15.12,THB:4:5:10.9:15.12,13:12:10.9:5.6,14:15:10.9:5.6|
Show InChI InChI=1S/C13H21N3/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)
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n/an/a 2.26E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/udorn/1972(H3N2)) M2 V27A mutant channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrod...

Eur J Med Chem 96: 318-29 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.030
BindingDB Entry DOI: 10.7270/Q2B27X1P
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50079997
PNG
(CHEMBL3415949)
Show SMILES [H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CN(C[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])CC[C@]2([H])[C@@]14[H])C(N)=N |r,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|
Show InChI InChI=1S/C17H23N3/c18-17(19)20-3-7-8(4-20)14-10-6-2-1-5-9(10)13(7)15-11(5)12(6)16(14)15/h5-16H,1-4H2,(H3,18,19)
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n/an/a 3.22E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/udorn/1972(H3N2)) M2 V27A mutant channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrod...

Eur J Med Chem 96: 318-29 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.030
BindingDB Entry DOI: 10.7270/Q2B27X1P
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)		BDBM50079995
PNG
(CHEMBL3415947)
Show SMILES [H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CNC[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])C=C[C@]2([H])[C@@]14[H] |r,c:27,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|
Show InChI InChI=1S/C16H19N/c1-2-6-10-9-5(1)11-12(6)16-14(10)8-4-17-3-7(8)13(9)15(11)16/h1-2,5-17H,3-4H2
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n/an/a 1.85E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/udorn/1972(H3N2)) M2 V27A mutant channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrod...

Eur J Med Chem 96: 318-29 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.030
BindingDB Entry DOI: 10.7270/Q2B27X1P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%