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Compile Data Set for Download or QSAR

Found 1006 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 12 member 5' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Solute carrier family 12 member 5


(Homo sapiens)
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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n/an/a 61n/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 ...


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


(Homo sapiens)
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 152n/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 ...


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


(Homo sapiens)
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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n/an/a 177n/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 ...


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


(Homo sapiens)
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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n/an/a 300n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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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n/an/a 385n/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 ...


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


(Homo sapiens)
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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n/an/a 537n/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 ...


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


(Homo sapiens)
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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n/an/a 560n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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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n/an/a 568n/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 ...


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


(Homo sapiens)
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 570n/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 ...


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


(Homo sapiens)
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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n/an/a 640n/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 ...


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


(Homo sapiens)
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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n/an/a 640n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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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n/an/a 756n/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 ...


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


(Homo sapiens)
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 ...


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


(Homo sapiens)
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 ...


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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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 ...


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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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 ...


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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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 ...


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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44166
PNG
(MLS000858987 | N'-(4-phenyl-1,3-thiazol-2-yl)-...)
Show SMILES O=C(NNc1nc(cs1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C14H11N3OS2/c18-13(12-7-4-8-19-12)16-17-14-15-11(9-20-14)10-5-2-1-3-6-10/h1-9H,(H,15,17)(H,16,18)
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n/an/an/an/a 252n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44168
PNG
(3-(2-chlorophenyl)-5-methyl-N-(p-cumenylthiocarbam...)
Show SMILES CC(C)c1ccc(NC(=S)NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H20ClN3O2S/c1-12(2)14-8-10-15(11-9-14)23-21(28)24-20(26)18-13(3)27-25-19(18)16-6-4-5-7-17(16)22/h4-12H,1-3H3,(H2,23,24,26,28)
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n/an/an/an/a 291n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44249
PNG
(MLS000877509 | SMR000463801 | cid_16746060)
Show SMILES CN1C(CC2Cn3c(nc4cc(Cl)c(Cl)cc34)C12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H20Cl2N4O/c1-26-18(21(28)24-10-12-5-3-2-4-6-12)7-13-11-27-17-9-15(23)14(22)8-16(17)25-20(27)19(13)26/h2-6,8-9,13,18-19H,7,10-11H2,1H3,(H,24,28)
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n/an/an/an/a 6.40E+4n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44169
PNG
((6Z)-1-amyl-4-(4-fluorobenzyl)-5-(4-methoxyphenyl)...)
Show SMILES CCCCCN1C\C=C/C(N(Cc2ccc(F)cc2)C(=O)C1)c1ccc(OC)cc1
Show InChI InChI=1S/C25H31FN2O2/c1-3-4-5-16-27-17-6-7-24(21-10-14-23(30-2)15-11-21)28(25(29)19-27)18-20-8-12-22(26)13-9-20/h6-15,24H,3-5,16-19H2,1-2H3/b7-6-
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n/an/an/an/a 7.86E+3n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43880
PNG
(MLS000666595 | N'-[1-(5-bromo-2-thienyl)ethyli...)
Show SMILES CC(=NNC(=O)c1ccc2OCOc2c1)c1ccc(Br)s1
Show InChI InChI=1S/C14H11BrN2O3S/c1-8(12-4-5-13(15)21-12)16-17-14(18)9-2-3-10-11(6-9)20-7-19-10/h2-6H,7H2,1H3,(H,17,18)
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n/an/an/an/a 7.26E+5n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43881
PNG
(MLS000687464 | N-[(3-acetylanilino)-sulfanylidenem...)
Show SMILES CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C17H16N2O2S/c1-11-6-8-13(9-7-11)16(21)19-17(22)18-15-5-3-4-14(10-15)12(2)20/h3-10H,1-2H3,(H2,18,19,21,22)
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n/an/an/an/a 1.19E+3n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43882
PNG
(MLS000688132 | N-(8-quinolylthiocarbamoyl)thiophen...)
Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1
Show InChI InChI=1S/C15H11N3OS2/c19-14(12-7-3-9-21-12)18-15(20)17-11-6-1-4-10-5-2-8-16-13(10)11/h1-9H,(H2,17,18,19,20)
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n/an/an/an/a 124n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43883
PNG
(2-azanylidene-3-[5-[(3-chlorophenyl)methyl]-1,3-th...)
Show SMILES Clc1cccc(Cc2cnc(s2)N2C(=N)SCC2=O)c1
Show InChI InChI=1S/C13H10ClN3OS2/c14-9-3-1-2-8(4-9)5-10-6-16-13(20-10)17-11(18)7-19-12(17)15/h1-4,6,15H,5,7H2
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n/an/an/an/a 2.86E+3n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43884
PNG
(1-(2-fluorophenyl)-4-(4-nitrophenyl)-1,3-dihydro-2...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cn(-c2ccccc2F)c(=S)[nH]1
Show InChI InChI=1S/C15H10FN3O2S/c16-12-3-1-2-4-14(12)18-9-13(17-15(18)22)10-5-7-11(8-6-10)19(20)21/h1-9H,(H,17,22)
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n/an/an/an/a 616n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43885
PNG
(1-[(2,6-difluorobenzylidene)amino]-3-(3-pyridyl)th...)
Show SMILES Fc1cccc(F)c1C=NNC(=S)Nc1cccnc1
Show InChI InChI=1S/C13H10F2N4S/c14-11-4-1-5-12(15)10(11)8-17-19-13(20)18-9-3-2-6-16-7-9/h1-8H,(H2,18,19,20)
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n/an/an/an/a 6.66E+3n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43886
PNG
(MLS000332605 | N'-[1-oxo-2-(4-propan-2-ylphenoxy)e...)
Show SMILES CC(C)c1ccc(OCC(=O)NNC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C16H18N4O3/c1-11(2)12-3-5-13(6-4-12)23-10-15(21)19-20-16(22)14-9-17-7-8-18-14/h3-9,11H,10H2,1-2H3,(H,19,21)(H,20,22)
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n/an/an/an/a 1.56E+4n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43887
PNG
((6E)-6-[(1,3-benzoxazol-2-ylhydrazo)methylidene]-1...)
Show SMILES Oc1ccccc1CN=Nc1nc2ccccc2o1
Show InChI InChI=1S/C14H11N3O2/c18-12-7-3-1-5-10(12)9-15-17-14-16-11-6-2-4-8-13(11)19-14/h1-8,18H,9H2
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n/an/an/an/a 3.11E+4n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43888
PNG
((E)-N-[4-(2-Methoxy-phenyl)-piperazine-1-carbothio...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=S)NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C21H23N3O2S/c1-26-19-10-6-5-9-18(19)23-13-15-24(16-14-23)21(27)22-20(25)12-11-17-7-3-2-4-8-17/h2-12H,13-16H2,1H3,(H,22,25,27)/b12-11+
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n/an/an/an/a 1.34E+3n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43889
PNG
(4-(2,3-dihydrobenzo[b]furan-5-yl)pyrimidine-2-thio...)
Show SMILES S=c1nc(cc[nH]1)-c1ccc2OCCc2c1
Show InChI InChI=1S/C12H10N2OS/c16-12-13-5-3-10(14-12)8-1-2-11-9(7-8)4-6-15-11/h1-3,5,7H,4,6H2,(H,13,14,16)
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n/an/an/an/a 6.10E+3n/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...


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43868
PNG
(3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...)
Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
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n/an/an/an/a 2.55E+4n/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...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
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