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Compile Data Set for Download or QSAR

Found 992 hits of Enz. Inhib. data with enzyme = 'electroneutral potassium-chloride cotransporter KCC2' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
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

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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
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)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
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)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
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

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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/Q2ZP44H3
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

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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/Q2ZP44H3
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

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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/Q2ZP44H3
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

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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/Q2ZP44H3
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

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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/Q2ZP44H3
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

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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
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

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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/Q2ZP44H3
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

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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/Q2ZP44H3
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

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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/Q2ZP44H3
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

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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/Q2ZP44H3
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

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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
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

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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
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

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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
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

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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
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

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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
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)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
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)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44197
PNG
(2-[3-(4-fluorobenzyl)-7-keto-triazolo[4,5-d]pyrimi...)
Show SMILES Fc1ccc(Cn2nnc3c2ncn(CC(=O)NCc2ccco2)c3=O)cc1
Show InChI InChI=1S/C18H15FN6O3/c19-13-5-3-12(4-6-13)9-25-17-16(22-23-25)18(27)24(11-21-17)10-15(26)20-8-14-2-1-7-28-14/h1-7,11H,8-10H2,(H,20,26)
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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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44198
PNG
(1-({1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperid...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C21H27FN4O4S/c1-15-20(16(2)30-23-15)31(28,29)26-9-7-17(8-10-26)21(27)25-13-11-24(12-14-25)19-5-3-18(22)4-6-19/h3-6,17H,7-14H2,1-2H3
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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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43958
PNG
(2-{[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidi...)
Show SMILES O=C(C1CCN(CC1)S(=O)(=O)c1cccc2nsnc12)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H22N4O3S2/c26-21(24-11-8-15-4-1-2-5-17(15)14-24)16-9-12-25(13-10-16)30(27,28)19-7-3-6-18-20(19)23-29-22-18/h1-7,16H,8-14H2
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n/an/an/an/a 3.41E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43960
PNG
(3-ethoxy-4-fluoranyl-N-(phenylmethyl)benzenesulfon...)
Show SMILES CCOc1cc(ccc1F)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C15H16FNO3S/c1-2-20-15-10-13(8-9-14(15)16)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
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n/an/an/an/a 4.68E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43961
PNG
(MLS000051858 | N-(2-cyanophenyl)-2-[(1-phenethylim...)
Show SMILES O=C(CSc1nccn1CCc1ccccc1)Nc1ccccc1C#N
Show InChI InChI=1S/C20H18N4OS/c21-14-17-8-4-5-9-18(17)23-19(25)15-26-20-22-11-13-24(20)12-10-16-6-2-1-3-7-16/h1-9,11,13H,10,12,15H2,(H,23,25)
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n/an/an/an/a 1.25E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43962
PNG
(5-(4-benzyl-1-piperazinyl)-2-(2-thienyl)-1,3-oxazo...)
Show SMILES N#Cc1nc(oc1N1CCN(Cc2ccccc2)CC1)-c1cccs1
Show InChI InChI=1S/C19H18N4OS/c20-13-16-19(24-18(21-16)17-7-4-12-25-17)23-10-8-22(9-11-23)14-15-5-2-1-3-6-15/h1-7,12H,8-11,14H2
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n/an/an/an/a 1.17E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44199
PNG
(5-[(2-bromanylphenoxy)methyl]-N-(pyridin-3-ylmethy...)
Show SMILES Brc1ccccc1OCc1ccc(o1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C18H15BrN2O3/c19-15-5-1-2-6-16(15)23-12-14-7-8-17(24-14)18(22)21-11-13-4-3-9-20-10-13/h1-10H,11-12H2,(H,21,22)
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n/an/an/an/a 9.14E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM42795
PNG
(5-[(2-bromanylphenoxy)methyl]-N-pyridin-3-yl-furan...)
Show SMILES Brc1ccccc1OCc1ccc(o1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H13BrN2O3/c18-14-5-1-2-6-15(14)22-11-13-7-8-16(23-13)17(21)20-12-4-3-9-19-10-12/h1-10H,11H2,(H,20,21)
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n/an/an/an/a 5.19E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM32113
PNG
((1-oxidanylidene-3,4-dihydro-2H-naphthalen-2-yl) 2...)
Show SMILES Oc1ccccc1C(=O)OC1CCc2ccccc2C1=O
Show InChI InChI=1S/C17H14O4/c18-14-8-4-3-7-13(14)17(20)21-15-10-9-11-5-1-2-6-12(11)16(15)19/h1-8,15,18H,9-10H2
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n/an/an/an/a 530n/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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43965
PNG
(5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazole-2(3H)-thi...)
Show SMILES Sc1nnc(Cc2c[nH]c3ccccc23)o1
Show InChI InChI=1S/C11H9N3OS/c16-11-14-13-10(15-11)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,16)
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n/an/an/an/a 3.76E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM39112
PNG
(2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-...)
Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2sc3CCCCCCc3c2C#N)n1
Show InChI InChI=1S/C17H19N5O2S2/c18-8-11-10-5-3-1-2-4-6-12(10)26-16(11)21-15(24)9-25-17-20-13(19)7-14(23)22-17/h7H,1-6,9H2,(H,21,24)(H3,19,20,22,23)
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n/an/an/an/a 461n/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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43967
PNG
(4-chloranyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)qui...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H21ClN6O2S/c24-17-8-10-18(11-9-17)33(31,32)28-22-23(27-20-6-2-1-5-19(20)26-22)30-15-13-29(14-16-30)21-7-3-4-12-25-21/h1-12H,13-16H2,(H,26,28)
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n/an/an/an/a 9.37E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM41359
PNG
(MLS000118127 | N-[3-[4-(2-fluorophenyl)-1-piperazi...)
Show SMILES Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C27H30FN5O2/c1-30-24(18-20-25(30)19-8-3-5-10-22(19)31(2)27(20)35)26(34)29-12-7-13-32-14-16-33(17-15-32)23-11-6-4-9-21(23)28/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,29,34)
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n/an/an/an/a 7.12E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44200
PNG
(3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-pyrrol-1-yl-...)
Show SMILES O=C(C1CCN(CC1)c1nnc(s1)-n1cccc1)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H23N5OS/c27-19(26-14-7-16-5-1-2-6-18(16)15-26)17-8-12-25(13-9-17)21-23-22-20(28-21)24-10-3-4-11-24/h1-6,10-11,17H,7-9,12-15H2
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n/an/an/an/a 1.06E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM41369
PNG
(MLS000118132 | N-[2-[4-(2-fluorophenyl)-1-piperazi...)
Show SMILES Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCN1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C26H28FN5O2/c1-29-23(17-19-24(29)18-7-3-5-9-21(18)30(2)26(19)34)25(33)28-11-12-31-13-15-32(16-14-31)22-10-6-4-8-20(22)27/h3-10,17H,11-16H2,1-2H3,(H,28,33)
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n/an/an/an/a 2.68E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43970
PNG
(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2...)
Show SMILES Cc1oc(nc1CS(=O)CC(=O)N1CCc2ccccc2C1)-c1cccc(C)c1
Show InChI InChI=1S/C23H24N2O3S/c1-16-6-5-9-19(12-16)23-24-21(17(2)28-23)14-29(27)15-22(26)25-11-10-18-7-3-4-8-20(18)13-25/h3-9,12H,10-11,13-15H2,1-2H3
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n/an/an/an/a 5.03E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43971
PNG
(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-methyl-2...)
Show SMILES Cc1oc(nc1CS(=O)CC(=O)N1CCc2ccccc2C1)-c1ccccc1
Show InChI InChI=1S/C22H22N2O3S/c1-16-20(23-22(27-16)18-8-3-2-4-9-18)14-28(26)15-21(25)24-12-11-17-7-5-6-10-19(17)13-24/h2-10H,11-15H2,1H3
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n/an/an/an/a 4.86E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43973
PNG
(MLS000102716 | N-[2-(2-phenyl-1,3-thiazol-4-yl)eth...)
Show SMILES O=C(NCCc1csc(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C16H14N2OS2/c19-15(14-7-4-10-20-14)17-9-8-13-11-21-16(18-13)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,19)
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n/an/an/an/a 7.34E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43975
PNG
(2-(7-keto-3-phenyl-triazolo[4,5-d]pyrimidin-6-yl)-...)
Show SMILES O=C(Cn1cnc2n(nnc2c1=O)-c1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C20H18N6O2/c27-17(21-12-11-15-7-3-1-4-8-15)13-25-14-22-19-18(20(25)28)23-24-26(19)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,21,27)
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n/an/an/an/a 1.17E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43976
PNG
(2-(1-naphthalenylmethyl)-5-(prop-2-enylamino)-4-ox...)
Show SMILES C=CCNc1oc(Cc2cccc3ccccc23)nc1C#N
Show InChI InChI=1S/C18H15N3O/c1-2-10-20-18-16(12-19)21-17(22-18)11-14-8-5-7-13-6-3-4-9-15(13)14/h2-9,20H,1,10-11H2
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n/an/an/an/a 1.21E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44201
PNG
(MLS000112919 | N-(3-cyano-4,5,6,7-tetrahydro-1-ben...)
Show SMILES CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C18H20N4O2S2/c1-3-13(26-18-20-10(2)8-15(23)21-18)16(24)22-17-12(9-19)11-6-4-5-7-14(11)25-17/h8,13H,3-7H2,1-2H3,(H,22,24)(H,20,21,23)
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n/an/an/an/a 2.56E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44202
PNG
(1-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-4-(pheny...)
Show SMILES COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H26N2O3S/c1-16-13-19(25-3)20(14-17(16)2)26(23,24)22-11-9-21(10-12-22)15-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15H2,1-3H3
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n/an/an/an/a 3.33E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43977
PNG
(MLS000109492 | N-(2-phenyl-1,3-benzoxazol-5-yl)-4-...)
Show SMILES O=C(Nc1ccc2oc(nc2c1)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C19H13N3O2/c23-18(13-8-10-20-11-9-13)21-15-6-7-17-16(12-15)22-19(24-17)14-4-2-1-3-5-14/h1-12H,(H,21,23)
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n/an/an/an/a 3.24E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44203
PNG
(MLS000110551 | N-[4-[4-(1-methyl-3-phenyl-propyl)p...)
Show SMILES CC(CCc1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C22H29N3O3S/c1-18(8-9-20-6-4-3-5-7-20)24-14-16-25(17-15-24)29(27,28)22-12-10-21(11-13-22)23-19(2)26/h3-7,10-13,18H,8-9,14-17H2,1-2H3,(H,23,26)
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n/an/an/an/a 6.70E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44204
PNG
(MLS000110474 | N-(3-bromophenyl)-N-[2-keto-2-(4-ph...)
Show SMILES CS(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/C19H22BrN3O3S/c1-27(25,26)23(18-9-5-6-16(20)14-18)15-19(24)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
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n/an/an/an/a 2.43E+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/Q2Q52N1X
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/an/an/a 619n/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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43979
PNG
(4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihy...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1n[nH]c(=S)n1C
Show InChI InChI=1S/C13H14N4S/c1-8-10(7-12-15-16-13(18)17(12)2)9-5-3-4-6-11(9)14-8/h3-6,14H,7H2,1-2H3,(H,16,18)
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n/an/an/an/a 2.51E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44205
PNG
(1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(4-hydroxy-p...)
Show SMILES O=C(CSc1nccc(=O)[nH]1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H15N3O2S/c19-13-5-7-16-15(17-13)21-10-14(20)18-8-6-11-3-1-2-4-12(11)9-18/h1-5,7H,6,8-10H2,(H,16,17,19)
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n/an/an/an/a 9.12E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43980
PNG
(5-(2-Chloro-phenoxymethyl)-furan-2-carboxylic acid...)
Show SMILES Clc1ccccc1OCc1ccc(o1)C(=O)OCc1ccccn1
Show InChI InChI=1S/C18H14ClNO4/c19-15-6-1-2-7-16(15)22-12-14-8-9-17(24-14)18(21)23-11-13-5-3-4-10-20-13/h1-10H,11-12H2
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n/an/an/an/a 6.49E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
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