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Compile Data Set for Download or QSAR

Found 35 hits of ic50 data for polymerid = 50006084   
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
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


(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


(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
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


(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


(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

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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


(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


(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
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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n/an/a 1.20E+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
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...


Citation and Details
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
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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n/an/a 1.60E+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))
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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43901
PNG
(2-[(4-fluorobenzyl)thio]-N-[2-(2-fluorophenoxy)eth...)
Show SMILES Fc1ccc(CSc2ccccc2C(=O)NCCOc2ccccc2F)cc1
Show InChI InChI=1S/C22H19F2NO2S/c23-17-11-9-16(10-12-17)15-28-21-8-4-1-5-18(21)22(26)25-13-14-27-20-7-3-2-6-19(20)24/h1-12H,13-15H2,(H,25,26)
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n/an/a 2.20E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43905
PNG
(2-chloranyl-5-[methyl-(phenylmethyl)sulfamoyl]-N-(...)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C22H22ClN3O3S/c1-26(16-17-7-3-2-4-8-17)30(28,29)19-10-11-21(23)20(15-19)22(27)25-14-12-18-9-5-6-13-24-18/h2-11,13,15H,12,14,16H2,1H3,(H,25,27)
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n/an/a 2.50E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43904
PNG
(2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-...)
Show SMILES Fc1ccc(cc1)-c1csc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)n1
Show InChI InChI=1S/C18H17FN4O3S/c19-12-5-3-11(4-6-12)13-10-27-16(20-13)21-14(24)9-23-15(25)18(22-17(23)26)7-1-2-8-18/h3-6,10H,1-2,7-9H2,(H,22,26)(H,20,21,24)
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n/an/a 2.90E+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))
BDBM50387287
PNG
(CHEMBL2048848)
Show SMILES CN(C(=O)CSc1ccc(cn1)-c1ccccc1)c1nc(C)cs1
Show InChI InChI=1S/C18H17N3OS2/c1-13-11-24-18(20-13)21(2)17(22)12-23-16-9-8-15(10-19-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 2.90E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43896
PNG
(2-nitro-N-[4-[(phenylmethyl)sulfamoyl]phenyl]benza...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C20H17N3O5S/c24-20(18-8-4-5-9-19(18)23(25)26)22-16-10-12-17(13-11-16)29(27,28)21-14-15-6-2-1-3-7-15/h1-13,21H,14H2,(H,22,24)
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n/an/a 5.10E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43894
PNG
(3-benzyl-6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-ket...)
Show SMILES O=C(Cn1cnc2n(Cc3ccccc3)nnc2c1=O)N1CCCc2ccccc12
Show InChI InChI=1S/C22H20N6O2/c29-19(27-12-6-10-17-9-4-5-11-18(17)27)14-26-15-23-21-20(22(26)30)24-25-28(21)13-16-7-2-1-3-8-16/h1-5,7-9,11,15H,6,10,12-14H2
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n/an/a 6.00E+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))
BDBM50387286
PNG
(CHEMBL2048847)
Show SMILES Cc1csc(NC(=O)CSc2ccc(cn2)-c2ccccc2)n1
Show InChI InChI=1S/C17H15N3OS2/c1-12-10-23-17(19-12)20-15(21)11-22-16-8-7-14(9-18-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20,21)
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n/an/a 6.90E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43899
PNG
(4-(4-methylphenyl)-N-(2-oxolanylmethyl)benzenesulf...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C18H21NO3S/c1-14-4-6-15(7-5-14)16-8-10-18(11-9-16)23(20,21)19-13-17-3-2-12-22-17/h4-11,17,19H,2-3,12-13H2,1H3
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n/an/a 7.70E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43900
PNG
(2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4-phenyl-...)
Show SMILES OC(=O)c1c(NC(=O)\C=C\c2ccccc2)scc1-c1ccccc1
Show InChI InChI=1S/C20H15NO3S/c22-17(12-11-14-7-3-1-4-8-14)21-19-18(20(23)24)16(13-25-19)15-9-5-2-6-10-15/h1-13H,(H,21,22)(H,23,24)/b12-11+
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n/an/a 7.90E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM39676
PNG
(1-N,3-N-dibenzyl-4-chlorobenzene-1,3-disulfonamide...)
Show SMILES Clc1ccc(cc1S(=O)(=O)NCc1ccccc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C20H19ClN2O4S2/c21-19-12-11-18(28(24,25)22-14-16-7-3-1-4-8-16)13-20(19)29(26,27)23-15-17-9-5-2-6-10-17/h1-13,22-23H,14-15H2
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n/an/a 9.10E+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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43897
PNG
(3-(phenylmethyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3...)
Show SMILES O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nc2CCCCc2s1
Show InChI InChI=1S/C17H20N2O3S2/c20-16(19-17-18-14-8-4-5-9-15(14)23-17)10-11-24(21,22)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,18,19,20)
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n/an/a 1.34E+4n/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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43898
PNG
(2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-m...)
Show SMILES Cc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1
Show InChI InChI=1S/C15H14N4O2S2/c1-10-8-16-14(23-10)17-12(20)9-22-15-19-18-13(21-15)7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,16,17,20)
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n/an/a 1.97E+4n/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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43907
PNG
(3-chloro-1-benzothiophene-2-carboxylic acid [2-[4-...)
Show SMILES Clc1c(sc2ccccc12)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H17ClN2O5S/c21-17-13-4-1-2-6-15(13)29-18(17)20(26)28-12-16(24)22-7-9-23(10-8-22)19(25)14-5-3-11-27-14/h1-6,11H,7-10,12H2
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n/an/a 2.40E+4n/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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43909
PNG
(3-[2-(1-naphthalenylmethylthio)-1-benzimidazolyl]p...)
Show SMILES OC(=O)CCn1c(SCc2cccc3ccccc23)nc2ccccc12
Show InChI InChI=1S/C21H18N2O2S/c24-20(25)12-13-23-19-11-4-3-10-18(19)22-21(23)26-14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11H,12-14H2,(H,24,25)
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n/an/a 3.60E+4n/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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43906
PNG
((2-methyl-2,3-dihydroindol-1-yl)-(3-nitro-4-pyrrol...)
Show SMILES CC1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H21N3O3/c1-14-12-15-6-2-3-7-17(15)22(14)20(24)16-8-9-18(19(13-16)23(25)26)21-10-4-5-11-21/h2-3,6-9,13-14H,4-5,10-12H2,1H3
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n/an/a 5.10E+4n/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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43908
PNG
(2-(2-methyl-1,3-thiazol-4-yl)-N-(4-phenyl-1,3-thia...)
Show SMILES Cc1nc(CC(=O)Nc2nc(cs2)-c2ccccc2)cs1
Show InChI InChI=1S/C15H13N3OS2/c1-10-16-12(8-20-10)7-14(19)18-15-17-13(9-21-15)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,17,18,19)
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n/an/a 7.90E+4n/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