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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with Target = 'Twik-RElated Potassium (K+) channel 1 (TREK1)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50180662
PNG
(CHEMBL3817944)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1/C87H133N25O20/c1-10-48(8)71(81(127)98-41-68(116)108-70(47(6)7)82(128)107-63(44-114)77(123)103-59(36-50-38-95-54-22-13-11-20-52(50)54)72(118)97-40-67(115)100-58(34-45(2)3)75(121)102-57(85(131)132)25-16-30-94-87(91)92)109-80(126)64-26-17-31-110(64)69(117)42-99-73(119)62(43-113)106-76(122)60(37-51-39-96-55-23-14-12-21-53(51)55)104-74(120)56(24-15-29-93-86(89)90)101-78(124)66-28-19-33-112(66)84(130)61(35-46(4)5)105-79(125)65-27-18-32-111(65)83(129)49(9)88/h11-14,20-23,38-39,45-49,56-66,70-71,95-96,113-114H,10,15-19,24-37,40-44,88H2,1-9H3,(H,97,118)(H,98,127)(H,99,119)(H,100,115)(H,101,124)(H,102,121)(H,103,123)(H,104,120)(H,105,125)(H,106,122)(H,107,128)(H,108,116)(H,109,126)(H,131,132)(H4,89,90,93)(H4,91,92,94)/t48-,49-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-/s2
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n/an/a 71n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of TREK1 (unknown origin) expressed in whole COS7 cells assessed as reduction in channel currents in presence of 10 uM arachidonic acid


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM79180
PNG
(2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methy...)
Show SMILES CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC
Show InChI InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,16-17H,4,9-11,22H2,1-3H3
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n/an/a 400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TREK-1 (unknown origin)


J Med Chem 56: 593-624 (2013)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in HEK293 cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM79172
PNG
(2-[4-[(3Z)-3-[2-(trifluoromethyl)-9-thioxanthenyli...)
Show SMILES OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50367247
PNG
(QUININE | Quinamm | Quinsan | cid_3034034)
Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
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n/an/a 3.85E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50066430
PNG
(2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phe...)
Show SMILES CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in HEK293 cells assessed as reversible current depression


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM202558
PNG
(NC30)
Show SMILES CC(C)Oc1ccc(CN2CCC(O)(Cn3c(cc4cccnc34)C(F)(F)F)CC2)cc1
Show InChI InChI=1S/C24H28F3N3O2/c1-17(2)32-20-7-5-18(6-8-20)15-29-12-9-23(31,10-13-29)16-30-21(24(25,26)27)14-19-4-3-11-28-22(19)30/h3-8,11,14,17,31H,9-10,12-13,15-16H2,1-2H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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n/an/a 4.70E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in CHO cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50180661
PNG
(NORFLUOXETINE | Norfluoxetine)
Show SMILES NCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in tsA201 cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in HEK293 cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in tsA201 cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM22871
PNG
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 2.03E+4n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in oocytes assessed as reversible current depression


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50117271
PNG
(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)
Show SMILES CC(N)COc1c(C)cccc1C
Show InChI InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
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n/an/a 1.73E+5n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in CHO cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50017662
PNG
(2-(Diethylamino)-2',6'-acetoxylidide | 2-(Diethyla...)
Show SMILES CCN(CC)CC(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
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n/an/a 1.80E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TREK-1 expressed in HEK293 cells by patch-clamp technique


J Med Chem 56: 593-624 (2013)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50017662
PNG
(2-(Diethylamino)-2',6'-acetoxylidide | 2-(Diethyla...)
Show SMILES CCN(CC)CC(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
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n/an/a 2.07E+5n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in HEK293 cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM81875
PNG
(Fluoxetine-R-(-))
Show SMILES CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1
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n/an/an/an/a 1.90E+4n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM22871
PNG
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
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n/an/an/an/a 1.97E+4n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM190405
PNG
(US9180183, Quinidine)
Show SMILES COc1ccc2nccc([C@H](O)C3CC4CCN3C[C@@H]4C=C)c2c1
Show InChI InChI=1/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19?,20-/s2
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n/an/an/an/a 2.41E+4n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM181128
PNG
(US9138393, Diltiazem)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(C(C)N(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1/C23H30N2O3S/c1-15(2)28-21-22(17-11-13-18(27-6)14-12-17)29-20-10-8-7-9-19(20)25(23(21)26)16(3)24(4)5/h7-16,21-22H,1-6H3/t16?,21-,22+/s2
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n/an/an/an/a 2.48E+4n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50012957
PNG
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)
Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
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n/an/an/an/a 6.40E+4n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50350790
PNG
(BUPIVACAINE HYDROCHLORIDE | Bupivacaine | SAMPL3, ...)
Show SMILES CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
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n/an/an/an/a 1.13E+5n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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n/an/an/an/a 3.77E+5n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM82053
PNG
(8-(2-Furyl)theophylline | US9138393, Theophylline ...)
Show SMILES Cn1c2[nH]cnc2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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n/an/an/an/a 4.86E+5n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50027886
PNG
(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
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n/an/an/an/a 7.84E+5n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM10458
PNG
(4-AP | 4-Aminopyridine 10 | CHEMBL284348 | DALFAMP...)
Show SMILES Nc1ccncc1
Show InChI InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
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n/an/an/an/a 2.75E+6n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50180656
PNG
(CHEMBL3818503)
Show SMILES CC1(C)c2cc(Cl)ccc2N(CCc2nnn[nH]2)c2ccc(Cl)cc12
Show InChI InChI=1S/C18H17Cl2N5/c1-18(2)13-9-11(19)3-5-15(13)25(8-7-17-21-23-24-22-17)16-6-4-12(20)10-14(16)18/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,23,24)
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n/an/an/an/a 9.70E+3n/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Activation of TREK1 (unknown origin) expressed in HEK293 cells assessed as increase in current density relative to control


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50180656
PNG
(CHEMBL3818503)
Show SMILES CC1(C)c2cc(Cl)ccc2N(CCc2nnn[nH]2)c2ccc(Cl)cc12
Show InChI InChI=1S/C18H17Cl2N5/c1-18(2)13-9-11(19)3-5-15(13)25(8-7-17-21-23-24-22-17)16-6-4-12(20)10-14(16)18/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,23,24)
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n/an/an/an/a 3.60E+4n/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Activation of TREK1 (unknown origin) expressed in Xenopus oocytes assessed as increase in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50180657
PNG
(CHEMBL3819108)
Show SMILES Clc1ccc2n(CCc3nnn[nH]3)c3ccc(Cl)cc3c2c1
Show InChI InChI=1S/C15H11Cl2N5/c16-9-1-3-13-11(7-9)12-8-10(17)2-4-14(12)22(13)6-5-15-18-20-21-19-15/h1-4,7-8H,5-6H2,(H,18,19,20,21)
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n/an/an/an/a 1.25E+5n/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Activation of TREK1 (unknown origin) expressed in Xenopus oocytes assessed as increase in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50180658
PNG
(CHEMBL3818800)
Show SMILES OC(=O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc12
Show InChI InChI=1S/C15H11Cl2NO2/c16-9-1-3-13-11(7-9)12-8-10(17)2-4-14(12)18(13)6-5-15(19)20/h1-4,7-8H,5-6H2,(H,19,20)
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n/an/an/an/a 2.13E+5n/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Activation of TREK1 (unknown origin) expressed in Xenopus oocytes assessed as increase in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50180659
PNG
(CHEMBL3818672)
Show SMILES CCCCCc1ccc(\C=C\C(=O)Nc2cc(Cl)ccc2C(O)=O)cc1
Show InChI InChI=1S/C21H22ClNO3/c1-2-3-4-5-15-6-8-16(9-7-15)10-13-20(24)23-19-14-17(22)11-12-18(19)21(25)26/h6-14H,2-5H2,1H3,(H,23,24)(H,25,26)/b13-10+
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n/an/an/an/a 3.00E+3n/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Activation of human TREK1 expressed in CHO cells assessed as increase in channel currents at +50 mV relative to control


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM17636
PNG
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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n/an/an/an/a 1.00E+5n/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Activation of TREK1 (unknown origin) expressed in COS7 cells assessed as increase in whole cell currents at +50 mV relative to control


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM30705
PNG
(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Show SMILES Nc1nc2ccc(OC(F)(F)F)cc2s1
Show InChI InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
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n/an/an/an/a 1.39E+5n/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Activation of TREK1 (unknown origin) expressed in COS7 cells assessed as increase in whole cell currents at +50 mV relative to control


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50453799
PNG
(NIGULDIPINE | Niguldipine)
Show SMILES COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1
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n/an/an/an/a 750n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50088383
PNG
(AMLODIPINE | Amlodipine | CHEBI:2668 | Norvasc)
Show SMILES CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC
Show InChI InChI=1/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
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n/an/an/an/a 430n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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n/an/an/an/a 354n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM26948
PNG
(8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
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n/an/an/an/a 232n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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n/an/an/an/a 187n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM60939
PNG
(I-NBP)
Show SMILES CCCC[C@H]1OC(=O)c2ccccc12
Show InChI InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3/t11-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50254790
PNG
((S)-Norfluoxetine | CHEMBL465123 | NORFLUOXETINE)
Show SMILES NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50101817
PNG
(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
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n/an/an/an/a 8.18E+3n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50053408
PNG
(HALOPERIDOL DECANOATE | Haldol | Haldol Dec | Halo...)
Show SMILES CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H41ClFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM85675
PNG
(Anandamide + PMSF | CHEMBL321585)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCO
Show InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-
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n/an/an/an/a 5.10E+3n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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n/an/an/an/a 4.70E+3n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM86722
PNG
(CAS_53772-82-0 | CAS_53772-85-3 | FLUPENTHIXOL, Al...)
Show SMILES OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2
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n/an/an/an/a 2.00E+3n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
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