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Compile Data Set for Download or QSAR

Found 340 hits with Last Name = 'flaherty' and Initial = 'dp'   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50405890
PNG
(CHEMBL4782535)
Show SMILES CC(C)COC(=O)Oc1ccc2cc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C13H15NO5S2/c1-8(2)7-18-13(15)19-10-4-3-9-5-12(21(14,16)17)20-11(9)6-10/h3-6,8H,7H2,1-2H3,(H2,14,16,17)
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0.320n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50405889
PNG
(CHEMBL4741159)
Show SMILES CC(=O)Nc1ccc2cc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N2O3S2/c1-6(13)12-8-3-2-7-4-10(17(11,14)15)16-9(7)5-8/h2-5H,1H3,(H,12,13)(H2,11,14,15)
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8.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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Article
PubMed
16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human carbonic anhydrase 13 expressed in Escherichia coliBL21(DE3) pLysS incubated for 10 mins by phenol red dye based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00734
BindingDB Entry DOI: 10.7270/Q2FR019P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50547697
PNG
(CHEMBL4739913)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50405887
PNG
(CHEMBL4750765)
Show SMILES COc1ccc2sc(cc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H9NO3S2/c1-13-7-2-3-8-6(4-7)5-9(14-8)15(10,11)12/h2-5H,1H3,(H2,10,11,12)
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM16669
PNG
(CHEMBL281376 | N-(5-sulfamoyl-1,3,4-thiadiazol-2-y...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C9H8N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h1-5H,(H2,10,15,16)(H,11,12,14)
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50405888
PNG
(CHEMBL5280695)
Show SMILES COc1ccc2cc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H9NO3S2/c1-13-7-3-2-6-4-9(15(10,11)12)14-8(6)5-7/h2-5H,1H3,(H2,10,11,12)
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38n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50405885
PNG
(CHEMBL4749585)
Show SMILES NS(=O)(=O)c1cc2cc(CO)ccc2s1
Show InChI InChI=1S/C9H9NO3S2/c10-15(12,13)9-4-7-3-6(5-11)1-2-8(7)14-9/h1-4,11H,5H2,(H2,10,12,13)
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47n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10868
PNG
(1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...)
Show SMILES Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
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60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50405886
PNG
(CHEMBL4753745)
Show SMILES CN(C)C(=O)Oc1ccc2sc(cc2c1)S(N)(=O)=O
Show InChI InChI=1S/C11H12N2O4S2/c1-13(2)11(14)17-8-3-4-9-7(5-8)6-10(18-9)19(12,15)16/h3-6H,1-2H3,(H2,12,15,16)
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78n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50604204
PNG
(CHEMBL5188949)
Show SMILES CCc1cc(=O)[nH]c(n1)-n1nc(C)cc1NC(=O)c1cccc(C)c1
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900n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01759
BindingDB Entry DOI: 10.7270/Q29G5RWW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50604193
PNG
(CHEMBL5187824)
Show SMILES CCc1cc(=O)[nH]c(n1)-n1nc(C)cc1NC(=O)c1ccccc1F
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1.30E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01759
BindingDB Entry DOI: 10.7270/Q29G5RWW
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050546
PNG
(CHEMBL3182699)
Show SMILES CC(C)Oc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O4/c1-15(2)32-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(14-16)29-23(31)19-11-4-6-13-21(19)33-24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
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n/an/a 1n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050547
PNG
(CHEMBL3182449)
Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-16-9-7-8-15(14-16)27-21(29)17-10-3-5-12-19(17)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
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n/an/a 2n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050542
PNG
(CHEMBL3183497)
Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
Show InChI InChI=1S/C23H22N2O4/c1-3-29-21-14-7-5-12-19(21)23(27)25-17-10-8-9-16(15-17)24-22(26)18-11-4-6-13-20(18)28-2/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
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n/an/a 2n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50312125
PNG
(3-chloro-N-(3-(3-methylbenzamido)phenyl)benzamide ...)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H17ClN2O2/c1-14-5-2-6-15(11-14)20(25)23-18-9-4-10-19(13-18)24-21(26)16-7-3-8-17(22)12-16/h2-13H,1H3,(H,23,25)(H,24,26)
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n/an/a 3n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050541
PNG
(CHEMBL3188749)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O4/c1-30-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)27-21(29)17-10-3-5-12-19(17)31-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
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n/an/a 4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50312105
PNG
(2-methoxy-N-(3-(3-methylbenzamido)phenyl)benzamide...)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C22H20N2O3/c1-15-7-5-8-16(13-15)21(25)23-17-9-6-10-18(14-17)24-22(26)19-11-3-4-12-20(19)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050538
PNG
(CHEMBL3182091)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1
Show InChI InChI=1S/C19H16N2O2S/c1-13-5-2-6-14(11-13)18(22)20-15-7-3-8-16(12-15)21-19(23)17-9-4-10-24-17/h2-12H,1H3,(H,20,22)(H,21,23)
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n/an/a 5n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050544
PNG
(CHEMBL3187764)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(C)C)c1
Show InChI InChI=1S/C24H24N2O3/c1-16(2)19-11-4-5-12-20(19)23(27)25-17-9-8-10-18(15-17)26-24(28)21-13-6-7-14-22(21)29-3/h4-16H,1-3H3,(H,25,27)(H,26,28)
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n/an/a 7n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50123519
PNG
(2'-{[2-(4-Methoxy-phenyl)-acetylamino]-methyl}-bip...)
Show SMILES COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C30H26F2N2O3/c1-37-24-14-10-20(11-15-24)16-29(35)33-18-21-6-2-3-7-25(21)26-8-4-5-9-27(26)30(36)34-19-22-12-13-23(31)17-28(22)32/h2-15,17H,16,18-19H2,1H3,(H,33,35)(H,34,36)
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n/an/a 7n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050503
PNG
(CHEMBL3187482)
Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C23H22N2O3/c1-3-28-21-13-5-4-12-20(21)23(27)25-19-11-7-10-18(15-19)24-22(26)17-9-6-8-16(2)14-17/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
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n/an/a 9n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050540
PNG
(CHEMBL3182359)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)21(25)23-15-8-7-9-16(14-15)24-22(26)18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 10n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050534
PNG
(CHEMBL3183773)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O2/c1-14-5-2-6-15(11-14)20(28)26-18-9-4-10-19(13-18)27-21(29)16-7-3-8-17(12-16)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
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n/an/a 10n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050547
PNG
(CHEMBL3182449)
Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-16-9-7-8-15(14-16)27-21(29)17-10-3-5-12-19(17)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
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n/an/a 10n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050503
PNG
(CHEMBL3187482)
Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C23H22N2O3/c1-3-28-21-13-5-4-12-20(21)23(27)25-19-11-7-10-18(15-19)24-22(26)17-9-6-8-16(2)14-17/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
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n/an/a 11n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050545
PNG
(CHEMBL3186000)
Show SMILES CC(C)c1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O3/c1-15(2)18-10-3-4-11-19(18)22(30)28-16-8-7-9-17(14-16)29-23(31)20-12-5-6-13-21(20)32-24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
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n/an/a 11n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050530
PNG
(CHEMBL3188857)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O2/c1-14-6-4-7-15(12-14)20(28)26-16-8-5-9-17(13-16)27-21(29)18-10-2-3-11-19(18)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
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n/an/a 14n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50312105
PNG
(2-methoxy-N-(3-(3-methylbenzamido)phenyl)benzamide...)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C22H20N2O3/c1-15-7-5-8-16(13-15)21(25)23-17-9-6-10-18(14-17)24-22(26)19-11-3-4-12-20(19)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 16n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050433
PNG
(CHEMBL3186489)
Show SMILES O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C20H16N2O2/c23-19(15-8-3-1-4-9-15)21-17-12-7-13-18(14-17)22-20(24)16-10-5-2-6-11-16/h1-14H,(H,21,23)(H,22,24)
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n/an/a 21n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050508
PNG
(CHEMBL3186695)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C21H17ClN2O2/c1-14-6-4-7-15(12-14)20(25)23-16-8-5-9-17(13-16)24-21(26)18-10-2-3-11-19(18)22/h2-13H,1H3,(H,23,25)(H,24,26)
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n/an/a 23n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050522
PNG
(CHEMBL3182551)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(F)c2)c1
Show InChI InChI=1S/C21H17FN2O2/c1-14-5-2-6-15(11-14)20(25)23-18-9-4-10-19(13-18)24-21(26)16-7-3-8-17(22)12-16/h2-13H,1H3,(H,23,25)(H,24,26)
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n/an/a 25n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050157
PNG
(CHEMBL1310568)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H18N2O2/c1-15-7-5-10-17(13-15)21(25)23-19-12-6-11-18(14-19)22-20(24)16-8-3-2-4-9-16/h2-14H,1H3,(H,22,24)(H,23,25)
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n/an/a 27n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050451
PNG
(CHEMBL3182777)
Show SMILES O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1cccs1
Show InChI InChI=1S/C18H14N2O2S/c21-17(13-6-2-1-3-7-13)19-14-8-4-9-15(12-14)20-18(22)16-10-5-11-23-16/h1-12H,(H,19,21)(H,20,22)
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n/an/a 29n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050504
PNG
(CHEMBL3182725)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O3/c1-14-6-4-7-15(12-14)20(28)26-16-8-5-9-17(13-16)27-21(29)18-10-2-3-11-19(18)30-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
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n/an/a 29n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050495
PNG
(CHEMBL3185736)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C22H20N2O2/c1-15-6-3-8-17(12-15)21(25)23-19-10-5-11-20(14-19)24-22(26)18-9-4-7-16(2)13-18/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 30n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050540
PNG
(CHEMBL3182359)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-19-12-5-3-10-17(19)21(25)23-15-8-7-9-16(14-15)24-22(26)18-11-4-6-13-20(18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 30n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050498
PNG
(CHEMBL3187806)
Show SMILES COc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C22H20N2O3/c1-15-6-3-7-16(12-15)21(25)23-18-9-5-10-19(14-18)24-22(26)17-8-4-11-20(13-17)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 31n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050447
PNG
(CHEMBL1716797)
Show SMILES O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1ccco1
Show InChI InChI=1S/C18H14N2O3/c21-17(13-6-2-1-3-7-13)19-14-8-4-9-15(12-14)20-18(22)16-10-5-11-23-16/h1-12H,(H,19,21)(H,20,22)
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n/an/a 37n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 9


(Homo sapiens (Human))
BDBM50050503
PNG
(CHEMBL3187482)
Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C23H22N2O3/c1-3-28-21-13-5-4-12-20(21)23(27)25-19-11-7-10-18(15-19)24-22(26)17-9-6-8-16(2)14-17/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
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n/an/a 38n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-3 (unknown origin) expressed in HEK293 cells by QPatch assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050437
PNG
(CHEMBL1532914)
Show SMILES Fc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H15FN2O2/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14/h1-13H,(H,22,24)(H,23,25)
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n/an/a 45n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050440
PNG
(CHEMBL3184966)
Show SMILES Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H15ClN2O2/c21-16-9-4-8-15(12-16)20(25)23-18-11-5-10-17(13-18)22-19(24)14-6-2-1-3-7-14/h1-13H,(H,22,24)(H,23,25)
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n/an/a 52n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050504
PNG
(CHEMBL3182725)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1
Show InChI InChI=1S/C22H17F3N2O3/c1-14-6-4-7-15(12-14)20(28)26-16-8-5-9-17(13-16)27-21(29)18-10-2-3-11-19(18)30-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
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n/an/a 60n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 9


(Homo sapiens (Human))
BDBM50050542
PNG
(CHEMBL3183497)
Show SMILES CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
Show InChI InChI=1S/C23H22N2O4/c1-3-29-21-14-7-5-12-19(21)23(27)25-17-10-8-9-16(15-17)24-22(26)18-11-4-6-13-20(18)28-2/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
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n/an/a 66n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050543
PNG
(CHEMBL1480257)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1
Show InChI InChI=1S/C22H20N2O3/c1-15-8-3-4-11-18(15)21(25)23-16-9-7-10-17(14-16)24-22(26)19-12-5-6-13-20(19)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 73n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050157
PNG
(CHEMBL1310568)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H18N2O2/c1-15-7-5-10-17(13-15)21(25)23-19-12-6-11-18(14-19)22-20(24)16-8-3-2-4-9-16/h2-14H,1H3,(H,22,24)(H,23,25)
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n/an/a 75n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050493
PNG
(CHEMBL3184095)
Show SMILES O=C(Nc1cccc(NC(=O)c2ccccc2)c1)C1CCCCC1
Show InChI InChI=1S/C20H22N2O2/c23-19(15-8-3-1-4-9-15)21-17-12-7-13-18(14-17)22-20(24)16-10-5-2-6-11-16/h1,3-4,7-9,12-14,16H,2,5-6,10-11H2,(H,21,23)(H,22,24)
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n/an/a 79n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050453
PNG
(CHEMBL3182370)
Show SMILES O=C(Nc1cccc(NC(=O)c2ccccn2)c1)c1ccccc1
Show InChI InChI=1S/C19H15N3O2/c23-18(14-7-2-1-3-8-14)21-15-9-6-10-16(13-15)22-19(24)17-11-4-5-12-20-17/h1-13H,(H,21,23)(H,22,24)
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n/an/a 86n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM50050494
PNG
(CHEMBL3181939)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1
Show InChI InChI=1S/C22H20N2O2/c1-15-7-5-9-17(13-15)21(25)23-18-10-6-11-19(14-18)24-22(26)20-12-4-3-8-16(20)2/h3-14H,1-2H3,(H,23,25)(H,24,26)
PDB

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n/an/a 91n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay


Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
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