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Compile Data Set for Download or QSAR

Found 19 hits of kd for UniProtKB: P0DOF8   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)))
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/an/a 130n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titration


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)))
BDBM50465105
PNG
(CHEMBL1235691)
Show SMILES [H][C@](C)(N)C12CC3([H])CC([H])(CC([H])(C3)C1)C2 |r,TLB:8:9:15:5.6.14,THB:8:6:15:16.9.11,11:9:5:15.12.14,11:12:5:16.9.8|
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/t8-,9?,10?,11?,12?/m1/s1
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n/an/an/a 320n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titration


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)))
BDBM50465106
PNG
(CHEMBL3392935)
Show SMILES C[C@H](N)C12CC3CC(CC(C3)C1)C2 |TLB:12:3:10:6.8.7,THB:12:7:10:3.4.11,11:9:6:12.3.4,11:3:6:10.9.8,1:3:6:10.9.8,1:3:10:6.8.7|
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/t8-,9?,10?,11?,12?/m0/s1
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n/an/an/a 340n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titration


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)))
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/an/a 510n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titration


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/an/a 2.17E+3n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titration


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)))
BDBM50465105
PNG
(CHEMBL1235691)
Show SMILES [H][C@](C)(N)C12CC3([H])CC([H])(CC([H])(C3)C1)C2 |r,TLB:8:9:15:5.6.14,THB:8:6:15:16.9.11,11:9:5:15.12.14,11:12:5:16.9.8|
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/t8-,9?,10?,11?,12?/m1/s1
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n/an/an/a 3.20E+3n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage c...


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)))
BDBM50465107
PNG
(CHEMBL4292664)
Show SMILES CCCC(N)(CCC)C12CC3CC(CC(C3)C1)C2 |TLB:11:12:16:9.10.15,THB:11:10:16:17.12.13,13:12:9:16.14.15,13:14:9:17.12.11|
Show InChI InChI=1S/C17H31N/c1-3-5-17(18,6-4-2)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,3-12,18H2,1-2H3
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n/an/an/a 3.43E+3n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titration


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)))
BDBM50465106
PNG
(CHEMBL3392935)
Show SMILES C[C@H](N)C12CC3CC(CC(C3)C1)C2 |TLB:12:3:10:6.8.7,THB:12:7:10:3.4.11,11:9:6:12.3.4,11:3:6:10.9.8,1:3:6:10.9.8,1:3:10:6.8.7|
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/t8-,9?,10?,11?,12?/m0/s1
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n/an/an/a 3.90E+3n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage c...


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/an/a 4.59E+3n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titration


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)))
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/an/a 7.00E+3n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage c...


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/an/a 9.00E+3n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage c...


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)))
BDBM50465107
PNG
(CHEMBL4292664)
Show SMILES CCCC(N)(CCC)C12CC3CC(CC(C3)C1)C2 |TLB:11:12:16:9.10.15,THB:11:10:16:17.12.13,13:12:9:16.14.15,13:14:9:17.12.11|
Show InChI InChI=1S/C17H31N/c1-3-5-17(18,6-4-2)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,3-12,18H2,1-2H3
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n/an/an/a>1.00E+4n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 M2 proton channel S31N mutant by isothermal calorimetric titration


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/an/a 1.20E+4n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus M2 transmembrane domain by analytical ultracentrifugation method


J Med Chem 60: 1716-1733 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01115
BindingDB Entry DOI: 10.7270/Q2765JBV
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/an/a 1.30E+4n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage c...


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)))
BDBM50465107
PNG
(CHEMBL4292664)
Show SMILES CCCC(N)(CCC)C12CC3CC(CC(C3)C1)C2 |TLB:11:12:16:9.10.15,THB:11:10:16:17.12.13,13:12:9:16.14.15,13:14:9:17.12.11|
Show InChI InChI=1S/C17H31N/c1-3-5-17(18,6-4-2)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,3-12,18H2,1-2H3
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n/an/an/a 8.80E+4n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage c...


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/an/a 2.10E+5n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 M2 proton channel S31N mutant expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage...


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)))
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/an/a 4.44E+5n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 M2 proton channel S31N mutant expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage...


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)))
BDBM50465107
PNG
(CHEMBL4292664)
Show SMILES CCCC(N)(CCC)C12CC3CC(CC(C3)C1)C2 |TLB:11:12:16:9.10.15,THB:11:10:16:17.12.13,13:12:9:16.14.15,13:14:9:17.12.11|
Show InChI InChI=1S/C17H31N/c1-3-5-17(18,6-4-2)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,3-12,18H2,1-2H3
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n/an/an/a 1.80E+6n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 M2 proton channel S31N mutant expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage...


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)))
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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PubMed
n/an/an/a>1.00E+7n/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus A/Udorn/72 M2 proton channel S31N mutant expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage...


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