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Compile Data Set for Download or QSAR

Found 56 hits of ec50 data for polymerid = 8498   
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
Potassium channel subfamily K member 2


(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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50088383
PNG
(Amlodipine | CHEBI:2668 | Norvasc)
Show SMILES CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC |c:5,14|
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/h5-8,17,23H,4,9-11,22H2,1-3H3
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n/an/an/an/a 430n/an/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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 |r|
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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50453799
PNG
(Niguldipine)
Show SMILES COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9|
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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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 |w:9.8|
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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50017702
PNG
(1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...)
Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
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n/an/an/an/a 2.48E+3n/an/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50408507
PNG
(CHLOROPROMAZINE SULFOXIDE | Chlorpromazine sulfoxi...)
Show SMILES CN(C)CCCN1c2ccccc2S(=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2OS/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)22(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/an/an/a 2.70E+3n/an/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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)


Article DOI: 10.1021/acs.jmedchem.5b00671
BindingDB Entry DOI: 10.7270/Q2319XSS
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546010
PNG
(CHEMBL4750599)
Show SMILES Cc1sc(NC(=O)c2ccc(SC(F)(F)F)cc2)c(C(O)=O)c1C
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n/an/an/an/a<3.10E+3n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546001
PNG
(CHEMBL4776102)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(SC(F)(F)F)cc1
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n/an/an/an/a 3.80E+3n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50514764
PNG
(CHEMBL4552751)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1
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n/an/an/an/a 3.91E+3n/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Activation of recombinant human TREK1 W290A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clam...


J Med Chem 63: 3665-3677 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02163
BindingDB Entry DOI: 10.7270/Q25T3PTM
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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/an/an/a 4.00E+3n/an/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546002
PNG
(CHEMBL4747631)
Show SMILES OC(=O)c1ccc(Br)cc1NC(=O)c1ccc(SC(F)(F)F)cc1
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n/an/an/an/a 4.30E+3n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546000
PNG
(CHEMBL4780579)
Show SMILES OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(SC(F)(F)F)cc1
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n/an/an/an/a 4.40E+3n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546007
PNG
(CHEMBL4795261)
Show SMILES OC(=O)c1cc(OC(F)(F)F)ccc1NC(=O)c1ccc(SC(F)(F)F)cc1
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n/an/an/an/a 4.60E+3n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50197060
PNG
(CHEMBL1417584)
Show SMILES C1CCc2c(C1)cccc2Nc1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C17H17N5/c1-2-8-13-12(6-1)7-5-11-15(13)18-16-10-4-3-9-14(16)17-19-21-22-20-17/h3-5,7,9-11,18H,1-2,6,8H2,(H,19,20,21,22)
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n/an/an/an/a 5.20E+3n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50053408
PNG
(Haldol | Haldol Dec | Haloperidol Decanoate | R-13...)
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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546003
PNG
(CHEMBL4759642)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1ccc(SC(F)(F)F)cc1
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n/an/an/an/a 5.90E+3n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546004
PNG
(CHEMBL4759521)
Show SMILES OC(=O)c1cc(Br)c(F)cc1NC(=O)c1ccc(SC(F)(F)F)cc1
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n/an/an/an/a 6.10E+3n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50514764
PNG
(CHEMBL4552751)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1
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n/an/an/an/a 7.57E+3n/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Activation of recombinant human TREK1 T156A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clam...


J Med Chem 63: 3665-3677 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02163
BindingDB Entry DOI: 10.7270/Q25T3PTM
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50514764
PNG
(CHEMBL4552751)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1
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n/an/an/an/a 7.98E+3n/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Activation of recombinant human TREK1 I293A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clam...


J Med Chem 63: 3665-3677 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02163
BindingDB Entry DOI: 10.7270/Q25T3PTM
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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 |c:4,9|
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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50254790
PNG
((S)-Norfluoxetine | CHEMBL465123 | NORFLUOXETINE)
Show SMILES NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50545999
PNG
(CHEMBL4778307)
Show SMILES OC(=O)c1cc(F)ccc1NC(=O)c1ccc(SC(F)(F)F)cc1
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n/an/an/an/a 9.50E+3n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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)


Article DOI: 10.1021/acs.jmedchem.5b00671
BindingDB Entry DOI: 10.7270/Q2319XSS
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50545998
PNG
(CHEMBL4745050)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(SC(F)(F)F)cc1
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n/an/an/an/a 1.28E+4n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50514764
PNG
(CHEMBL4552751)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1
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n/an/an/an/a 1.28E+4n/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Activation of recombinant human TREK1 expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophys...


J Med Chem 63: 3665-3677 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02163
BindingDB Entry DOI: 10.7270/Q25T3PTM
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546012
PNG
(CHEMBL4761929)
Show SMILES O=C(Nc1ccccc1-c1nnn[nH]1)c1ccc2CCCCc2c1
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n/an/an/an/a 1.31E+4n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546008
PNG
(CHEMBL4784090)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1ccc(SC(F)(F)F)cc1)[N+]([O-])=O
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n/an/an/an/a 1.37E+4n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50514764
PNG
(CHEMBL4552751)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1
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n/an/an/an/a 1.52E+4n/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Activation of recombinant human TREK1 G275C mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clam...


J Med Chem 63: 3665-3677 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02163
BindingDB Entry DOI: 10.7270/Q25T3PTM
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546005
PNG
(CHEMBL4758530)
Show SMILES COc1ccc(C(O)=O)c(NC(=O)c2ccc(SC(F)(F)F)cc2)c1
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n/an/an/an/a 1.65E+4n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50514764
PNG
(CHEMBL4552751)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1
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n/an/an/an/a 1.84E+4n/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Activation of recombinant human TREK1 G275C mutant expressed in HEK293T cells assessed as increase in K+ current amplitude in presence of MTSET by wh...


J Med Chem 63: 3665-3677 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02163
BindingDB Entry DOI: 10.7270/Q25T3PTM
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM22871
PNG
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546006
PNG
(CHEMBL4747514)
Show SMILES COc1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)c(c1)C(O)=O
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n/an/an/an/a 2.02E+4n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546011
PNG
(CHEMBL4741659)
Show SMILES OC(=O)c1cc(sc1NC(=O)c1ccc(SC(F)(F)F)cc1)-c1ccccc1
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n/an/an/an/a 2.24E+4n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50514764
PNG
(CHEMBL4552751)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1
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n/an/an/an/a 2.24E+4n/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Activation of recombinant human TREK1 F149A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clam...


J Med Chem 63: 3665-3677 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02163
BindingDB Entry DOI: 10.7270/Q25T3PTM
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM190405
PNG
(US9180183, Quinidine)
Show SMILES COc1ccc2nccc([C@H](O)C3CC4CCN3C[C@@H]4C=C)c2c1 |r,TLB:10:12:16.15:19.18,THB:20:19:12.13:16.15|
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/an/an/a 2.41E+4n/an/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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 |r|
Show InChI InChI=1S/C22H26N2O4S/c1-14(23(3)4)24-18-8-6-7-9-19(18)29-21(20(22(24)26)28-15(2)25)16-10-12-17(27-5)13-11-16/h6-14,20-21H,1-5H3/t14?,20-,21+/m1/s1
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n/an/an/an/a 2.48E+4n/an/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(Homo sapiens (Human))
BDBM50546009
PNG
(CHEMBL4750436)
Show SMILES OC(=O)c1ccsc1NC(=O)c1ccc(SC(F)(F)F)cc1
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n/an/an/an/a>3.00E+4n/an/an/an/a


TBA

Assay Description
Activation of human TREK1 by thallium flux mobilization assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.048
BindingDB Entry DOI: 10.7270/Q2XS6006
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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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PubMed
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)


Article DOI: 10.1021/acs.jmedchem.5b00671
BindingDB Entry DOI: 10.7270/Q2319XSS
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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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Article
PubMed
n/an/an/an/a 6.40E+4n/an/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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)


Article DOI: 10.1021/acs.jmedchem.5b00671
BindingDB Entry DOI: 10.7270/Q2319XSS
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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/a7.322



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)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 2


(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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Article
PubMed
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)


Article DOI: 10.1021/acs.jmedchem.5b00671
BindingDB Entry DOI: 10.7270/Q2319XSS
More data for this
Ligand-Target Pair
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