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Compile Data Set for Download or QSAR

Found 1064 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 12 member 5'   
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
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315368
PNG
(CHEMBL1090182 | benzyl 1-acetyl-2-(4-methoxy-3-(tr...)
Show SMILES COc1ccc(CC2(CCCN2C(C)=O)C(=O)OCc2ccccc2)cc1C(F)(F)F
Show InChI InChI=1S/C23H24F3NO4/c1-16(28)27-12-6-11-22(27,21(29)31-15-17-7-4-3-5-8-17)14-18-9-10-20(30-2)19(13-18)23(24,25)26/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315367
PNG
(CHEMBL1089847 | benzyl 1-acetyl-2-(4-fluoro-3-(tri...)
Show SMILES CC(=O)N1CCCC1(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H21F4NO3/c1-15(28)27-11-5-10-21(27,20(29)30-14-16-6-3-2-4-7-16)13-17-8-9-19(23)18(12-17)22(24,25)26/h2-4,6-9,12H,5,10-11,13-14H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387290
PNG
(CHEMBL2048855)
Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3
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Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315366
PNG
(CHEMBL1092661 | benzyl 1-acetyl-2-(3-(trifluoromet...)
Show SMILES CC(=O)N1CCCC1(Cc1cccc(c1)C(F)(F)F)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H22F3NO3/c1-16(27)26-12-6-11-21(26,20(28)29-15-17-7-3-2-4-8-17)14-18-9-5-10-19(13-18)22(23,24)25/h2-5,7-10,13H,6,11-12,14-15H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387288
PNG
(CHEMBL2048853)
Show SMILES CC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1
Show InChI InChI=1S/C20H20N4OS2/c1-13-12-26-20(21-13)24(16-8-9-16)19(25)14(2)27-18-11-10-17(22-23-18)15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9H2,1-2H3
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Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315362
PNG
(CHEMBL1092325 | benzyl 1-acetyl-2-(4-cyanobenzyl)p...)
Show SMILES CC(=O)N1CCCC1(Cc1ccc(cc1)C#N)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H22N2O3/c1-17(25)24-13-5-12-22(24,14-18-8-10-19(15-23)11-9-18)21(26)27-16-20-6-3-2-4-7-20/h2-4,6-11H,5,12-14,16H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387291
PNG
(CHEMBL2048856)
Show SMILES Cc1csc(n1)N(C1CCC1)C(=O)CSc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C20H20N4OS2/c1-14-12-27-20(21-14)24(16-8-5-9-16)19(25)13-26-18-11-10-17(22-23-18)15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13H2,1H3
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Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384300
PNG
(CHEMBL2030661)
Show SMILES CC(=O)N1c2ccccc2CC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H23NO3/c1-19(27)26-23-15-9-8-14-22(23)17-25(26,16-20-10-4-2-5-11-20)24(28)29-18-21-12-6-3-7-13-21/h2-15H,16-18H2,1H3
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis


Bioorg Med Chem Lett 22: 3978-82 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384302
PNG
(CHEMBL2030663)
Show SMILES CC(=O)N1CCCC1(Cc1ccc(F)cc1)C(=O)CCc1ccc(F)cc1
Show InChI InChI=1S/C22H23F2NO2/c1-16(26)25-14-2-13-22(25,15-18-5-10-20(24)11-6-18)21(27)12-7-17-3-8-19(23)9-4-17/h3-6,8-11H,2,7,12-15H2,1H3
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis


Bioorg Med Chem Lett 22: 3978-82 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315359
PNG
(CHEMBL1092255 | benzyl 1-acetyl-2-(4-fluorobenzyl)...)
Show SMILES CC(=O)N1CCCC1(Cc1ccc(F)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H22FNO3/c1-16(24)23-13-5-12-21(23,14-17-8-10-19(22)11-9-17)20(25)26-15-18-6-3-2-4-7-18/h2-4,6-11H,5,12-15H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315365
PNG
(CHEMBL1092338 | benzyl 1-acetyl-2-(3-(methylsulfon...)
Show SMILES CC(=O)N1CCCC1(Cc1cccc(c1)S(C)(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25NO5S/c1-17(24)23-13-7-12-22(23,21(25)28-16-18-8-4-3-5-9-18)15-19-10-6-11-20(14-19)29(2,26)27/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384301
PNG
(CHEMBL2030662)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-18(24)23-16-8-15-22(23,17-20-11-6-3-7-12-20)21(25)14-13-19-9-4-2-5-10-19/h2-7,9-12H,8,13-17H2,1H3
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis


Bioorg Med Chem Lett 22: 3978-82 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384298
PNG
(CHEMBL2030659)
Show SMILES CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3/t21-/m1/s1
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis


Bioorg Med Chem Lett 22: 3978-82 (2012)

More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43895
PNG
(6-(4-ethoxyphenyl)-8-[(E)-2-phenylethenyl]-3,4a,7a...)
Show SMILES CCOc1ccc(cc1)-n1c(O)c2Sc3[nH]c(=O)sc3C(C=Cc3ccccc3)c2c1O
Show InChI InChI=1S/C24H20N2O4S2/c1-2-30-16-11-9-15(10-12-16)26-22(27)18-17(13-8-14-6-4-3-5-7-14)19-21(25-24(29)32-19)31-20(18)23(26)28/h3-13,17,27-28H,2H2,1H3,(H,25,29)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315350
PNG
((+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxyl...)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315360
PNG
(CHEMBL1092256 | benzyl 1-acetyl-2-(4-chlorobenzyl)...)
Show SMILES CC(=O)N1CCCC1(Cc1ccc(Cl)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H22ClNO3/c1-16(24)23-13-5-12-21(23,14-17-8-10-19(22)11-9-17)20(25)26-15-18-6-3-2-4-7-18/h2-4,6-11H,5,12-15H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315363
PNG
(CHEMBL1092336 | benzyl 1-acetyl-2-(3-cyanobenzyl)p...)
Show SMILES CC(=O)N1CCCC1(Cc1cccc(c1)C#N)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H22N2O3/c1-17(25)24-12-6-11-22(24,14-19-9-5-10-20(13-19)15-23)21(26)27-16-18-7-3-2-4-8-18/h2-5,7-10,13H,6,11-12,14,16H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315376
PNG
(CHEMBL1093303 | benzyl 2-benzyl-1-(cyclopropanecar...)
Show SMILES O=C(C1CC1)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H25NO3/c25-21(20-12-13-20)24-15-7-14-23(24,16-18-8-3-1-4-9-18)22(26)27-17-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387289
PNG
(CHEMBL2048854)
Show SMILES CCC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1
Show InChI InChI=1S/C21H22N4OS2/c1-3-18(20(26)25(16-9-10-16)21-22-14(2)13-27-21)28-19-12-11-17(23-24-19)15-7-5-4-6-8-15/h4-8,11-13,16,18H,3,9-10H2,1-2H3
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Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315373
PNG
(2-benzyl 1-methyl 2-benzylpyrrolidine-1,2-dicarbox...)
Show SMILES COC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-25-20(24)22-14-8-13-21(22,15-17-9-4-2-5-10-17)19(23)26-16-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315361
PNG
((+)-benzyl 1-acetyl-2-(4-(methylsulfonyl)benzyl)py...)
Show SMILES CC(=O)N1CCCC1(Cc1ccc(cc1)S(C)(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25NO5S/c1-17(24)23-14-6-13-22(23,21(25)28-16-19-7-4-3-5-8-19)15-18-9-11-20(12-10-18)29(2,26)27/h3-5,7-12H,6,13-16H2,1-2H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315357
PNG
(CHEMBL1091212 | benzyl 1-acetyl-2-(4-methoxybenzyl...)
Show SMILES COc1ccc(CC2(CCCN2C(C)=O)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C22H25NO4/c1-17(24)23-14-6-13-22(23,15-18-9-11-20(26-2)12-10-18)21(25)27-16-19-7-4-3-5-8-19/h3-5,7-12H,6,13-16H2,1-2H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387285
PNG
(CHEMBL2048846)
Show SMILES CN(C(=O)CSc1ccc(nn1)-c1ccccc1)c1nc(C)cs1
Show InChI InChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
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Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43891
PNG
(N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin...)
Show SMILES Cc1csc(NC(=O)CSc2ccc(nn2)-c2ccccc2)n1
Show InChI InChI=1S/C16H14N4OS2/c1-11-9-23-16(17-11)18-14(21)10-22-15-8-7-13(19-20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43891
PNG
(N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin...)
Show SMILES Cc1csc(NC(=O)CSc2ccc(nn2)-c2ccccc2)n1
Show InChI InChI=1S/C16H14N4OS2/c1-11-9-23-16(17-11)18-14(21)10-22-15-8-7-13(19-20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)
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Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387288
PNG
(CHEMBL2048853)
Show SMILES CC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1
Show InChI InChI=1S/C20H20N4OS2/c1-13-12-26-20(21-13)24(16-8-9-16)19(25)14(2)27-18-11-10-17(22-23-18)15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9H2,1-2H3
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Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384307
PNG
(CHEMBL2030669)
Show SMILES Brc1ccc2oc(=O)c(cc2c1)C(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H19BrN2O3/c22-17-6-7-19-16(12-17)13-18(21(26)27-19)20(25)24-10-8-23(9-11-24)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis


Bioorg Med Chem Lett 22: 3978-82 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315358
PNG
(CHEMBL1091213 | benzyl 1-acetyl-2-(4-(trifluoromet...)
Show SMILES CC(=O)N1CCCC1(Cc1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H22F3NO3/c1-16(27)26-13-5-12-21(26,20(28)29-15-18-6-3-2-4-7-18)14-17-8-10-19(11-9-17)22(23,24)25/h2-4,6-11H,5,12-15H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387293
PNG
(CHEMBL2048858)
Show SMILES CCCN1C(N)C(C(=O)CSc2nnc(Cc3ccccc3)o2)C(=O)N(C)C1=O
Show InChI InChI=1S/C19H23N5O4S/c1-3-9-24-16(20)15(17(26)23(2)19(24)27)13(25)11-29-18-22-21-14(28-18)10-12-7-5-4-6-8-12/h4-8,15-16H,3,9-11,20H2,1-2H3
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Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43902
PNG
(1-(1-benzofuran-2-yl)-2-[[5-(3,4-dimethylanilino)-...)
Show SMILES Cc1ccc(Nc2nnc(SCC(=O)c3cc4ccccc4o3)s2)cc1C
Show InChI InChI=1S/C20H17N3O2S2/c1-12-7-8-15(9-13(12)2)21-19-22-23-20(27-19)26-11-16(24)18-10-14-5-3-4-6-17(14)25-18/h3-10H,11H2,1-2H3,(H,21,22)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387289
PNG
(CHEMBL2048854)
Show SMILES CCC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1
Show InChI InChI=1S/C21H22N4OS2/c1-3-18(20(26)25(16-9-10-16)21-22-14(2)13-27-21)28-19-12-11-17(23-24-19)15-7-5-4-6-8-15/h4-8,11-13,16,18H,3,9-10H2,1-2H3
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Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315356
PNG
(CHEMBL1091211 | benzyl 1-acetyl-2-(4-methylbenzyl)...)
Show SMILES CC(=O)N1CCCC1(Cc1ccc(C)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25NO3/c1-17-9-11-19(12-10-17)15-22(13-6-14-23(22)18(2)24)21(25)26-16-20-7-4-3-5-8-20/h3-5,7-12H,6,13-16H2,1-2H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315355
PNG
(CHEMBL1090196 | benzyl 1-acetyl-2-(thiophen-3-ylme...)
Show SMILES CC(=O)N1CCCC1(Cc1ccsc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C19H21NO3S/c1-15(21)20-10-5-9-19(20,12-17-8-11-24-14-17)18(22)23-13-16-6-3-2-4-7-16/h2-4,6-8,11,14H,5,9-10,12-13H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315350
PNG
((+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxyl...)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315389
PNG
(4-methylbenzyl 1-acetyl-2-benzylpyrrolidine-2-carb...)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(C)cc1
Show InChI InChI=1S/C22H25NO3/c1-17-9-11-20(12-10-17)16-26-21(25)22(13-6-14-23(22)18(2)24)15-19-7-4-3-5-8-19/h3-5,7-12H,6,13-16H2,1-2H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315350
PNG
((+)-benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxyl...)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis


Bioorg Med Chem Lett 22: 3978-82 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315353
PNG
(CHEMBL1088881 | benzyl 1-acetyl-2-(cyclohexylmethy...)
Show SMILES CC(=O)N1CCCC1(CC1CCCCC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H29NO3/c1-17(23)22-14-8-13-21(22,15-18-9-4-2-5-10-18)20(24)25-16-19-11-6-3-7-12-19/h3,6-7,11-12,18H,2,4-5,8-10,13-16H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384305
PNG
(CHEMBL2030667)
Show SMILES O=C(OCc1ccccc1)C1(Cc2ccccc2)CCC2CCCC(=O)N12
Show InChI InChI=1S/C23H25NO3/c25-21-13-7-12-20-14-15-23(24(20)21,16-18-8-3-1-4-9-18)22(26)27-17-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis


Bioorg Med Chem Lett 22: 3978-82 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315361
PNG
((+)-benzyl 1-acetyl-2-(4-(methylsulfonyl)benzyl)py...)
Show SMILES CC(=O)N1CCCC1(Cc1ccc(cc1)S(C)(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25NO5S/c1-17(24)23-14-6-13-22(23,21(25)28-16-19-7-4-3-5-8-19)15-18-9-11-20(12-10-18)29(2,26)27/h3-5,7-12H,6,13-16H2,1-2H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387292
PNG
(CHEMBL2048857)
Show SMILES Cc1csc(n1)N(C1CCCC1)C(=O)CSc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C21H22N4OS2/c1-15-13-28-21(22-15)25(17-9-5-6-10-17)20(26)14-27-19-12-11-18(23-24-19)16-7-3-2-4-8-16/h2-4,7-8,11-13,17H,5-6,9-10,14H2,1H3
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n/an/a 1.06E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43893
PNG
(3-benzyl-6-[2-(4-chlorophenyl)-2-keto-ethyl]triazo...)
Show SMILES Clc1ccc(cc1)C(=O)Cn1cnc2n(Cc3ccccc3)nnc2c1=O
Show InChI InChI=1S/C19H14ClN5O2/c20-15-8-6-14(7-9-15)16(26)11-24-12-21-18-17(19(24)27)22-23-25(18)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43893
PNG
(3-benzyl-6-[2-(4-chlorophenyl)-2-keto-ethyl]triazo...)
Show SMILES Clc1ccc(cc1)C(=O)Cn1cnc2n(Cc3ccccc3)nnc2c1=O
Show InChI InChI=1S/C19H14ClN5O2/c20-15-8-6-14(7-9-15)16(26)11-24-12-21-18-17(19(24)27)22-23-25(18)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
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Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315375
PNG
(CHEMBL1088923 | benzyl 2-benzyl-1-propionylpyrroli...)
Show SMILES CCC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25NO3/c1-2-20(24)23-15-9-14-22(23,16-18-10-5-3-6-11-18)21(25)26-17-19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50384304
PNG
(CHEMBL2030665)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C1=N[C@@H](CO1)c1ccccc1
Show InChI InChI=1S/C22H24N2O2/c1-17(25)24-14-8-13-22(24,15-18-9-4-2-5-10-18)21-23-20(16-26-21)19-11-6-3-7-12-19/h2-7,9-12,20H,8,13-16H2,1H3/t20-,22?/m0/s1
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UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis


Bioorg Med Chem Lett 22: 3978-82 (2012)

More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43892
PNG
(6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-...)
Show SMILES Fc1ccc(Cn2nnc3c2ncn(CC(=O)N2CCCc4ccccc24)c3=O)cc1
Show InChI InChI=1S/C22H19FN6O2/c23-17-9-7-15(8-10-17)12-29-21-20(25-26-29)22(31)27(14-24-21)13-19(30)28-11-3-5-16-4-1-2-6-18(16)28/h1-2,4,6-10,14H,3,5,11-13H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


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More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315388
PNG
(4-chlorobenzyl 1-acetyl-2-benzylpyrrolidine-2-carb...)
Show SMILES CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClNO3/c1-16(24)23-13-5-12-21(23,14-17-6-3-2-4-7-17)20(25)26-15-18-8-10-19(22)11-9-18/h2-4,6-11H,5,12-15H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43890
PNG
((4-benzylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,...)
Show SMILES CC(C)c1onc(C(=O)N2CCN(Cc3ccccc3)CC2)c1[N+]([O-])=O
Show InChI InChI=1S/C18H22N4O4/c1-13(2)17-16(22(24)25)15(19-26-17)18(23)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Rattus norvegicus)
BDBM50315372
PNG
(CHEMBL1088917 | benzyl 2-benzyl-1-(methylsulfonyl)...)
Show SMILES CS(=O)(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H23NO4S/c1-26(23,24)21-14-8-13-20(21,15-17-9-4-2-5-10-17)19(22)25-16-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 m...


Bioorg Med Chem Lett 20: 2542-5 (2010)

More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43903
PNG
(6-amino-3-methyl-5-[1-oxo-2-[[5-(phenylmethyl)-1,3...)
Show SMILES CCCn1c(N)c(C(=O)CSc2nnc(Cc3ccccc3)o2)c(=O)n(C)c1=O
Show InChI InChI=1S/C19H21N5O4S/c1-3-9-24-16(20)15(17(26)23(2)19(24)27)13(25)11-29-18-22-21-14(28-18)10-12-7-5-4-6-8-12/h4-8H,3,9-11,20H2,1-2H3
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50387288
PNG
(CHEMBL2048853)
Show SMILES CC(Sc1ccc(nn1)-c1ccccc1)C(=O)N(C1CC1)c1nc(C)cs1
Show InChI InChI=1S/C20H20N4OS2/c1-13-12-26-20(21-13)24(16-8-9-16)19(25)14(2)27-18-11-10-17(22-23-18)15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
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