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PubChem AID 1723

Compile data set for download or QSAR
Found 72 hits of Enzyme Inhibition Constant Data   
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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44188
PNG
(2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]...)
Show SMILES Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)no1
Show InChI InChI=1S/C22H20N4O3S/c1-14-7-9-16(10-8-14)12-26-21(28)17-5-3-4-6-18(17)23-22(26)30-13-20(27)24-19-11-15(2)29-25-19/h3-11H,12-13H2,1-2H3,(H,24,25,27)
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n/an/an/an/a 1.38E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43871
PNG
((2S)-2-[[(2S,3S)-4-keto-7-methoxy-2-[3-(trifluorom...)
Show SMILES COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c1cccc(c1)C(F)(F)F)C(C)C
Show InChI InChI=1S/C24H24F3NO7/c1-12(2)18(22(30)33-4)28-23(31)35-21-19(29)16-9-8-15(32-3)11-17(16)34-20(21)13-6-5-7-14(10-13)24(25,26)27/h5-12,18,20-21H,1-4H3,(H,28,31)/t18-,20-,21+/m0/s1
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n/an/an/an/a 996n/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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43875
PNG
(1-[(2,3-dichlorobenzylidene)amino]-3-phenethyl-thi...)
Show SMILES Clc1cccc(C=NNC(=S)NCCc2ccccc2)c1Cl
Show InChI InChI=1S/C16H15Cl2N3S/c17-14-8-4-7-13(15(14)18)11-20-21-16(22)19-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,19,21,22)
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n/an/an/an/a 1.12E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43877
PNG
(MLS000672338 | N-({[4-(isobutyrylamino)-3-methoxyp...)
Show SMILES COc1cc(NC(=S)NC(=O)c2ccco2)ccc1NC(=O)C(C)C
Show InChI InChI=1S/C17H19N3O4S/c1-10(2)15(21)19-12-7-6-11(9-14(12)23-3)18-17(25)20-16(22)13-5-4-8-24-13/h4-10H,1-3H3,(H,19,21)(H2,18,20,22,25)
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n/an/an/an/a 1.41E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
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 1.40E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44165
PNG
(3-(methoxycarbothioylamino)thiophene-2-carboxylic ...)
Show SMILES COC(=S)Nc1ccsc1C(=O)OC
Show InChI InChI=1S/C8H9NO3S2/c1-11-7(10)6-5(3-4-14-6)9-8(13)12-2/h3-4H,1-2H3,(H,9,13)
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n/an/an/an/a 1.74E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43877
PNG
(MLS000672338 | N-({[4-(isobutyrylamino)-3-methoxyp...)
Show SMILES COc1cc(NC(=S)NC(=O)c2ccco2)ccc1NC(=O)C(C)C
Show InChI InChI=1S/C17H19N3O4S/c1-10(2)15(21)19-12-7-6-11(9-14(12)23-3)18-17(25)20-16(22)13-5-4-8-24-13/h4-10H,1-3H3,(H,19,21)(H2,18,20,22,25)
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n/an/an/an/a 1.20E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43869
PNG
(2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]...)
Show SMILES CC(C)c1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
Show InChI InChI=1S/C16H17N3O/c1-10(2)13-9-14(20)19-16(17-13)15(11(3)18-19)12-7-5-4-6-8-12/h4-10,18H,1-3H3
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n/an/an/an/a 2.10E+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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43874
PNG
(3-ethoxy-N-(m-tolylthiocarbamoyl)benzamide | 3-eth...)
Show SMILES CCOc1cccc(c1)C(=O)NC(=S)Nc1cccc(C)c1
Show InChI InChI=1S/C17H18N2O2S/c1-3-21-15-9-5-7-13(11-15)16(20)19-17(22)18-14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3,(H2,18,19,20,22)
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n/an/an/an/a 1.58E+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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43878
PNG
((E)-1-(2-hydroxyphenyl)-5-phenyl-4-pentene-1,3-dio...)
Show SMILES Oc1ccccc1C(=O)CC(=O)C=Cc1ccccc1
Show InChI InChI=1S/C17H14O3/c18-14(11-10-13-6-2-1-3-7-13)12-17(20)15-8-4-5-9-16(15)19/h1-11,19H,12H2
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n/an/an/an/a 6.24E+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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43869
PNG
(2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]...)
Show SMILES CC(C)c1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
Show InChI InChI=1S/C16H17N3O/c1-10(2)13-9-14(20)19-16(17-13)15(11(3)18-19)12-7-5-4-6-8-12/h4-10,18H,1-3H3
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n/an/an/an/a 1.29E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44170
PNG
(2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-...)
Show SMILES CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(O)=O
Show InChI InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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n/an/an/an/a 1.54E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM50077844
PNG
(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
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n/an/an/an/a 8.04E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43870
PNG
(7-[4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-oxob...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)CCCn2c(=S)[nH]c3cc4OCOc4cc3c2=O)c1C
Show InChI InChI=1S/C25H28N4O4S/c1-16-5-3-6-20(17(16)2)27-9-11-28(12-10-27)23(30)7-4-8-29-24(31)18-13-21-22(33-15-32-21)14-19(18)26-25(29)34/h3,5-6,13-14H,4,7-12,15H2,1-2H3,(H,26,34)
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n/an/an/an/a 9.51E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
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 2.54E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43875
PNG
(1-[(2,3-dichlorobenzylidene)amino]-3-phenethyl-thi...)
Show SMILES Clc1cccc(C=NNC(=S)NCCc2ccccc2)c1Cl
Show InChI InChI=1S/C16H15Cl2N3S/c17-14-8-4-7-13(15(14)18)11-20-21-16(22)19-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,19,21,22)
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n/an/an/an/a 1.01E+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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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 8.80E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43871
PNG
((2S)-2-[[(2S,3S)-4-keto-7-methoxy-2-[3-(trifluorom...)
Show SMILES COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c1cccc(c1)C(F)(F)F)C(C)C
Show InChI InChI=1S/C24H24F3NO7/c1-12(2)18(22(30)33-4)28-23(31)35-21-19(29)16-9-8-15(32-3)11-17(16)34-20(21)13-6-5-7-14(10-13)24(25,26)27/h5-12,18,20-21H,1-4H3,(H,28,31)/t18-,20-,21+/m0/s1
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n/an/an/an/a 508n/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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44015
PNG
(3-(4-chlorophenyl)-4-[(E)-[(E)-3-(2-nitrophenyl)pr...)
Show SMILES [O-][N+](=O)c1ccccc1C=C[CH+][N-]n1c(n[nH]c1=S)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN5O2S/c18-14-9-7-13(8-10-14)16-20-21-17(26)22(16)19-11-3-5-12-4-1-2-6-15(12)23(24)25/h1-11H,(H,21,26)
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n/an/an/an/a 1.48E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43874
PNG
(3-ethoxy-N-(m-tolylthiocarbamoyl)benzamide | 3-eth...)
Show SMILES CCOc1cccc(c1)C(=O)NC(=S)Nc1cccc(C)c1
Show InChI InChI=1S/C17H18N2O2S/c1-3-21-15-9-5-7-13(11-15)16(20)19-17(22)18-14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3,(H2,18,19,20,22)
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n/an/an/an/a 1.33E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43875
PNG
(1-[(2,3-dichlorobenzylidene)amino]-3-phenethyl-thi...)
Show SMILES Clc1cccc(C=NNC(=S)NCCc2ccccc2)c1Cl
Show InChI InChI=1S/C16H15Cl2N3S/c17-14-8-4-7-13(15(14)18)11-20-21-16(22)19-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,19,21,22)
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n/an/an/an/a 1.49E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43879
PNG
(2-chloranyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1csc(NC(=S)NC(=O)c2ccccc2Cl)n1
Show InChI InChI=1S/C17H11ClN4O3S2/c18-13-7-2-1-6-12(13)15(23)20-16(26)21-17-19-14(9-27-17)10-4-3-5-11(8-10)22(24)25/h1-9H,(H2,19,20,21,23,26)
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n/an/an/an/a 7.40E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
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 1.22E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM47510
PNG
(1-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]...)
Show SMILES Cc1ccc(cc1)-c1ccc(C=NNC(N)=S)o1
Show InChI InChI=1S/C13H13N3OS/c1-9-2-4-10(5-3-9)12-7-6-11(17-12)8-15-16-13(14)18/h2-8H,1H3,(H3,14,16,18)
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n/an/an/an/a 4.70E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
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 1.70E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44165
PNG
(3-(methoxycarbothioylamino)thiophene-2-carboxylic ...)
Show SMILES COC(=S)Nc1ccsc1C(=O)OC
Show InChI InChI=1S/C8H9NO3S2/c1-11-7(10)6-5(3-4-14-6)9-8(13)12-2/h3-4H,1-2H3,(H,9,13)
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n/an/an/an/a 2.46E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44170
PNG
(2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-...)
Show SMILES CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(O)=O
Show InChI InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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n/an/an/an/a 1.49E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43879
PNG
(2-chloranyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1csc(NC(=S)NC(=O)c2ccccc2Cl)n1
Show InChI InChI=1S/C17H11ClN4O3S2/c18-13-7-2-1-6-12(13)15(23)20-16(26)21-17-19-14(9-27-17)10-4-3-5-11(8-10)22(24)25/h1-9H,(H2,19,20,21,23,26)
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n/an/an/an/a 1.39E+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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43872
PNG
(3-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-1-(3-methox...)
Show SMILES CCOc1ccc2nc(Sc3cc(O)n(c3O)-c3cccc(OC)c3)sc2c1
Show InChI InChI=1S/C20H18N2O4S2/c1-3-26-14-7-8-15-16(10-14)27-20(21-15)28-17-11-18(23)22(19(17)24)12-5-4-6-13(9-12)25-2/h4-11,23-24H,3H2,1-2H3
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n/an/an/an/a 1.42E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
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 2.57E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43873
PNG
(1-[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene...)
Show SMILES NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C16H13FN4OS/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8H,9H2,(H3,18,20,23)
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n/an/an/an/a 7.58E+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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM51763
PNG
(MLS000047204 | N-cyclohexyl-2-[[5-[(E)-2-(dimethyl...)
Show SMILES CN(C)\C=C\c1onc(C)c1S(=O)(=O)N(C)CC(=O)NC1CCCCC1
Show InChI InChI=1S/C17H28N4O4S/c1-13-17(15(25-19-13)10-11-20(2)3)26(23,24)21(4)12-16(22)18-14-8-6-5-7-9-14/h10-11,14H,5-9,12H2,1-4H3,(H,18,22)/b11-10+
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n/an/an/an/a 610n/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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44015
PNG
(3-(4-chlorophenyl)-4-[(E)-[(E)-3-(2-nitrophenyl)pr...)
Show SMILES [O-][N+](=O)c1ccccc1C=C[CH+][N-]n1c(n[nH]c1=S)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN5O2S/c18-14-9-7-13(8-10-14)16-20-21-17(26)22(16)19-11-3-5-12-4-1-2-6-15(12)23(24)25/h1-11H,(H,21,26)
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n/an/an/an/a 5.31E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43873
PNG
(1-[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene...)
Show SMILES NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C16H13FN4OS/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8H,9H2,(H3,18,20,23)
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n/an/an/an/a 2.29E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
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 8.12E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43966
PNG
(1-(1H-benzimidazol-2-yl)-3-methyl-4-phenyl-1H-pyra...)
Show SMILES Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H15N5/c1-11-15(12-7-3-2-4-8-12)16(18)22(21-11)17-19-13-9-5-6-10-14(13)20-17/h2-10H,18H2,1H3,(H,19,20)
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n/an/an/an/a 1.42E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43873
PNG
(1-[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene...)
Show SMILES NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C16H13FN4OS/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8H,9H2,(H3,18,20,23)
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n/an/an/an/a 5.71E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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 4.53E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
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 4.90E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
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 1.12E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
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 1.33E+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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43871
PNG
((2S)-2-[[(2S,3S)-4-keto-7-methoxy-2-[3-(trifluorom...)
Show SMILES COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c1cccc(c1)C(F)(F)F)C(C)C
Show InChI InChI=1S/C24H24F3NO7/c1-12(2)18(22(30)33-4)28-23(31)35-21-19(29)16-9-8-15(32-3)11-17(16)34-20(21)13-6-5-7-14(10-13)24(25,26)27/h5-12,18,20-21H,1-4H3,(H,28,31)/t18-,20-,21+/m0/s1
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n/an/an/an/a 515n/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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43872
PNG
(3-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-1-(3-methox...)
Show SMILES CCOc1ccc2nc(Sc3cc(O)n(c3O)-c3cccc(OC)c3)sc2c1
Show InChI InChI=1S/C20H18N2O4S2/c1-3-26-14-7-8-15-16(10-14)27-20(21-15)28-17-11-18(23)22(19(17)24)12-5-4-6-13(9-12)25-2/h4-11,23-24H,3H2,1-2H3
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n/an/an/an/a 7.89E+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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43966
PNG
(1-(1H-benzimidazol-2-yl)-3-methyl-4-phenyl-1H-pyra...)
Show SMILES Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H15N5/c1-11-15(12-7-3-2-4-8-12)16(18)22(21-11)17-19-13-9-5-6-10-14(13)20-17/h2-10H,18H2,1H3,(H,19,20)
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n/an/an/an/a 1.86E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43879
PNG
(2-chloranyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1csc(NC(=S)NC(=O)c2ccccc2Cl)n1
Show InChI InChI=1S/C17H11ClN4O3S2/c18-13-7-2-1-6-12(13)15(23)20-16(26)21-17-19-14(9-27-17)10-4-3-5-11(8-10)22(24)25/h1-9H,(H2,19,20,21,23,26)
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n/an/an/an/a 2.44E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
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 548n/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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43872
PNG
(3-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-1-(3-methox...)
Show SMILES CCOc1ccc2nc(Sc3cc(O)n(c3O)-c3cccc(OC)c3)sc2c1
Show InChI InChI=1S/C20H18N2O4S2/c1-3-26-14-7-8-15-16(10-14)27-20(21-15)28-17-11-18(23)22(19(17)24)12-5-4-6-13(9-12)25-2/h4-11,23-24H,3H2,1-2H3
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n/an/an/an/a 7.50E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43878
PNG
((E)-1-(2-hydroxyphenyl)-5-phenyl-4-pentene-1,3-dio...)
Show SMILES Oc1ccccc1C(=O)CC(=O)C=Cc1ccccc1
Show InChI InChI=1S/C17H14O3/c18-14(11-10-13-6-2-1-3-7-13)12-17(20)15-8-4-5-9-16(15)19/h1-11,19H,12H2
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n/an/an/an/a 2.36E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
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 507n/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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM40219
PNG
(3-(4-methylphenyl)-4-[[(Z)-3-(2-nitrophenyl)prop-2...)
Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C18H15N5O2S/c1-13-8-10-15(11-9-13)17-20-21-18(26)22(17)19-12-4-6-14-5-2-3-7-16(14)23(24)25/h2-12H,1H3,(H,21,26)
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n/an/an/an/a 807n/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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43877
PNG
(MLS000672338 | N-({[4-(isobutyrylamino)-3-methoxyp...)
Show SMILES COc1cc(NC(=S)NC(=O)c2ccco2)ccc1NC(=O)C(C)C
Show InChI InChI=1S/C17H19N3O4S/c1-10(2)15(21)19-12-7-6-11(9-14(12)23-3)18-17(25)20-16(22)13-5-4-8-24-13/h4-10H,1-3H3,(H,19,21)(H2,18,20,22,25)
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n/an/an/an/a 7.99E+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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43870
PNG
(7-[4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-oxob...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)CCCn2c(=S)[nH]c3cc4OCOc4cc3c2=O)c1C
Show InChI InChI=1S/C25H28N4O4S/c1-16-5-3-6-20(17(16)2)27-9-11-28(12-10-27)23(30)7-4-8-29-24(31)18-13-21-22(33-15-32-21)14-19(18)26-25(29)34/h3,5-6,13-14H,4,7-12,15H2,1-2H3,(H,26,34)
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n/an/an/an/a 1.09E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
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 1.86E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44138
PNG
((4E)-4-[(2,4-difluoroanilino)methylene]-5-ethoxy-2...)
Show SMILES CCOc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)cc1F
Show InChI InChI=1S/C18H15F2N3O2/c1-2-25-17-14(11-21-16-9-8-12(19)10-15(16)20)18(24)23(22-17)13-6-4-3-5-7-13/h3-11,22H,2H2,1H3
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n/an/an/an/a 5.86E+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)


BindingDB Entry DOI: 10.7270/Q2PN942B
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43869
PNG
(2-methyl-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]...)
Show SMILES CC(C)c1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
Show InChI InChI=1S/C16H17N3O/c1-10(2)13-9-14(20)19-16(17-13)15(11(3)18-19)12-7-5-4-6-8-12/h4-10,18H,1-3H3
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n/an/an/an/a 1.61E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43876
PNG
(1-(4-methoxybenzyl)-1H-benzimidazole-2-thiol | 3-[...)
Show SMILES COc1ccc(Cn2c3ccccc3[nH]c2=S)cc1
Show InChI InChI=1S/C15H14N2OS/c1-18-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)16-15(17)19/h2-9H,10H2,1H3,(H,16,19)
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n/an/an/an/a 385n/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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
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 2.53E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44138
PNG
((4E)-4-[(2,4-difluoroanilino)methylene]-5-ethoxy-2...)
Show SMILES CCOc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)cc1F
Show InChI InChI=1S/C18H15F2N3O2/c1-2-25-17-14(11-21-16-9-8-12(19)10-15(16)20)18(24)23(22-17)13-6-4-3-5-7-13/h3-11,22H,2H2,1H3
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n/an/an/an/a 9.76E+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)


BindingDB Entry DOI: 10.7270/Q2QV3JZ2
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM50077844
PNG
(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
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n/an/an/an/a 1.18E+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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43870
PNG
(7-[4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-oxob...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)CCCn2c(=S)[nH]c3cc4OCOc4cc3c2=O)c1C
Show InChI InChI=1S/C25H28N4O4S/c1-16-5-3-6-20(17(16)2)27-9-11-28(12-10-27)23(30)7-4-8-29-24(31)18-13-21-22(33-15-32-21)14-19(18)26-25(29)34/h3,5-6,13-14H,4,7-12,15H2,1-2H3,(H,26,34)
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n/an/an/an/a 1.12E+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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43876
PNG
(1-(4-methoxybenzyl)-1H-benzimidazole-2-thiol | 3-[...)
Show SMILES COc1ccc(Cn2c3ccccc3[nH]c2=S)cc1
Show InChI InChI=1S/C15H14N2OS/c1-18-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)16-15(17)19/h2-9H,10H2,1H3,(H,16,19)
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n/an/an/an/a 401n/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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
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)


BindingDB Entry DOI: 10.7270/Q23B5XKP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%