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PubChem AID 1736

Compile Data Set for Download or QSAR

Found 899 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)
BDBM44172
PNG
(3-(4-Fluoro-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4...)
Show SMILES Fc1ccc(Cn2nnc3c2nc([nH]c3=O)C(=O)NCc2cccs2)cc1
Show InChI InChI=1S/C17H13FN6O2S/c18-11-5-3-10(4-6-11)9-24-15-13(22-23-24)16(25)21-14(20-15)17(26)19-8-12-2-1-7-27-12/h1-7H,8-9H2,(H,19,26)(H,20,21,25)
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n/an/an/an/a 4.11E+7n/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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43912
PNG
(2-(1-Methyl-1H-benzoimidazol-2-ylmethylsulfanyl)-b...)
Show SMILES Cn1c(CSc2nc3ccccc3s2)nc2ccccc12
Show InChI InChI=1S/C16H13N3S2/c1-19-13-8-4-2-6-11(13)17-15(19)10-20-16-18-12-7-3-5-9-14(12)21-16/h2-9H,10H2,1H3
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n/an/an/an/a 4.39E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44178
PNG
(1-[1-(1-Benzo[1,3]dioxol-5-ylmethyl-1H-tetrazol-5-...)
Show SMILES Cc1nc2cc(ccc2n1C1CCN(Cc2nnnn2Cc2ccc3OCOc3c2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N7O2/c1-15-28-19-11-17(24(25,26)27)3-4-20(19)34(15)18-6-8-32(9-7-18)13-23-29-30-31-33(23)12-16-2-5-21-22(10-16)36-14-35-21/h2-5,10-11,18H,6-9,12-14H2,1H3
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n/an/an/an/a 3.28E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM47514
PNG
(2-furfuryl-[5-(2-furfurylamino)furazano[3,4-b]pyra...)
Show SMILES C(Nc1nc2nonc2nc1NCc1ccco1)c1ccco1
Show InChI InChI=1S/C14H12N6O3/c1-3-9(21-5-1)7-15-11-12(16-8-10-4-2-6-22-10)18-14-13(17-11)19-23-20-14/h1-6H,7-8H2,(H,15,17,19)(H,16,18,20)
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n/an/an/an/a 4.37E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43503
PNG
(4-(4-benzylpiperazin-1-yl)-8-methyl-5H-pyrimido[5,...)
Show SMILES Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N5/c1-16-7-8-19-18(13-16)20-21(25-19)22(24-15-23-20)27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3
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n/an/an/an/a 3.25E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43934
PNG
(5-(4-morpholinyl)-2-(1-naphthalenylmethyl)-4-oxazo...)
Show SMILES N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCOCC1
Show InChI InChI=1S/C19H17N3O2/c20-13-17-19(22-8-10-23-11-9-22)24-18(21-17)12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7H,8-12H2
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n/an/an/an/a 2.19E+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/Q2M32T6M
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/an/an/a 156n/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/Q2M32T6M
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/an/an/a 1.60E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM30857
PNG
(2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-4-methy...)
Show SMILES CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C
Show InChI InChI=1S/C15H15N3O3S2/c1-4-21-13(19)12-8(2)16-14(23-12)18-15-17-11-9(20-3)6-5-7-10(11)22-15/h5-7H,4H2,1-3H3,(H,16,17,18)
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n/an/an/an/a 2.34E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43947
PNG
(3-(4-fluorobenzyl)-6-[2-keto-2-(4-phenylpiperazino...)
Show SMILES Fc1ccc(Cn2nnc3c2ncn(CC(=O)N2CCN(CC2)c2ccccc2)c3=O)cc1
Show InChI InChI=1S/C23H22FN7O2/c24-18-8-6-17(7-9-18)14-31-22-21(26-27-31)23(33)30(16-25-22)15-20(32)29-12-10-28(11-13-29)19-4-2-1-3-5-19/h1-9,16H,10-15H2
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n/an/an/an/a 1.65E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43955
PNG
(1-(2,3-dihydroindol-1-yl)-4-(3,4-dihydro-1H-isoqui...)
Show SMILES O=C(CC(C(=O)N1CCc2ccccc12)n1ccnc1)N1CCc2ccccc2C1
Show InChI InChI=1S/C24H24N4O2/c29-23(26-12-9-18-5-1-2-7-20(18)16-26)15-22(27-14-11-25-17-27)24(30)28-13-10-19-6-3-4-8-21(19)28/h1-8,11,14,17,22H,9-10,12-13,15-16H2
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n/an/an/an/a 1.13E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43956
PNG
(2-{[1-({5-[(E)-2-(2-furyl)vinyl]-3-methylisoxazol-...)
Show SMILES Cc1noc(\C=C\c2ccco2)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H27N3O5S/c1-18-24(23(33-26-18)9-8-22-7-4-16-32-22)34(30,31)28-14-11-20(12-15-28)25(29)27-13-10-19-5-2-3-6-21(19)17-27/h2-9,16,20H,10-15,17H2,1H3/b9-8+
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n/an/an/an/a 3.86E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM47518
PNG
(2-({[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]me...)
Show SMILES CCc1ccc(cc1)-c1nc(CS(=O)CC(=O)NCc2cccnc2)c(C)o1
Show InChI InChI=1S/C21H23N3O3S/c1-3-16-6-8-18(9-7-16)21-24-19(15(2)27-21)13-28(26)14-20(25)23-12-17-5-4-10-22-11-17/h4-11H,3,12-14H2,1-2H3,(H,23,25)
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n/an/an/an/a 3.83E+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/Q2M32T6M
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 2.31E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43959
PNG
(1,3-diethyl-5-(4-phenylpiperidin-1-yl)sulfonyl-ben...)
Show SMILES CCn1c2ccc(cc2n(CC)c1=O)S(=O)(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O3S/c1-3-24-20-11-10-19(16-21(20)25(4-2)22(24)26)29(27,28)23-14-12-18(13-15-23)17-8-6-5-7-9-17/h5-11,16,18H,3-4,12-15H2,1-2H3
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n/an/an/an/a 1.32E+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/Q2M32T6M
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 5.41E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM47519
PNG
(2-(1-bromanylnaphthalen-2-yl)oxy-N-(1,2,4-triazol-...)
Show SMILES Brc1c(OCC(=O)Nn2cnnc2)ccc2ccccc12
Show InChI InChI=1S/C14H11BrN4O2/c15-14-11-4-2-1-3-10(11)5-6-12(14)21-7-13(20)18-19-8-16-17-9-19/h1-6,8-9H,7H2,(H,18,20)
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n/an/an/an/a 4.59E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43972
PNG
(2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]me...)
Show SMILES Cc1oc(nc1CS(=O)CC(=O)NCc1ccccc1)-c1ccccc1C
Show InChI InChI=1S/C21H22N2O3S/c1-15-8-6-7-11-18(15)21-23-19(16(2)26-21)13-27(25)14-20(24)22-12-17-9-4-3-5-10-17/h3-11H,12-14H2,1-2H3,(H,22,24)
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n/an/an/an/a 8.09E+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/Q2M32T6M
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 2.52E+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/Q2M32T6M
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 4.49E+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/Q2M32T6M
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 677n/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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM47529
PNG
(5-[(2,4-dichlorophenoxy)methyl]-N-(2-methylpropyl)...)
Show SMILES CC(C)CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
Show InChI InChI=1S/C16H17Cl2NO3/c1-10(2)8-19-16(20)15-6-4-12(22-15)9-21-14-5-3-11(17)7-13(14)18/h3-7,10H,8-9H2,1-2H3,(H,19,20)
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n/an/an/an/a 1.05E+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/Q2M32T6M
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 1.28E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43995
PNG
(2-{[3-(5-chloro-2,4-dimethoxyphenyl)-4,5-dihydro-5...)
Show SMILES COc1cc(OC)c(cc1Cl)C1=NOC(C1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H21ClN2O4/c1-26-18-11-19(27-2)16(22)9-15(18)17-10-20(28-23-17)21(25)24-8-7-13-5-3-4-6-14(13)12-24/h3-6,9,11,20H,7-8,10,12H2,1-2H3
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n/an/an/an/a 5.55E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44000
PNG
(MLS000558851 | N-[(5Z)-5-(1H-benzimidazol-2-ylmeth...)
Show SMILES Clc1ccccc1C(=O)NN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
Show InChI InChI=1S/C18H11ClN4O2S2/c19-11-6-2-1-5-10(11)16(24)22-23-17(25)14(27-18(23)26)9-15-20-12-7-3-4-8-13(12)21-15/h1-9H,(H,20,21)(H,22,24)/b14-9-
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n/an/an/an/a 128n/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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44004
PNG
(MLS000556612 | N-Cyclohexyl-3-furan-2-yl-4-phenyl-...)
Show SMILES O=C(CC(Cc1ccccc1)c1ccco1)NC1CCCCC1
Show InChI InChI=1S/C20H25NO2/c22-20(21-18-10-5-2-6-11-18)15-17(19-12-7-13-23-19)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17-18H,2,5-6,10-11,14-15H2,(H,21,22)
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n/an/an/an/a 3.03E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44005
PNG
(6,8-Diphenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4...)
Show SMILES Oc1c2Sc3[nH]c(=O)sc3C(c2c(O)n1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H14N2O3S2/c23-18-14-13(11-7-3-1-4-8-11)15-17(21-20(25)27-15)26-16(14)19(24)22(18)12-9-5-2-6-10-12/h1-10,13,23-24H,(H,21,25)
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n/an/an/an/a 45.8n/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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44019
PNG
(4-Bromo-benzoic acid (1-phenyl-ethylidene)-hydrazi...)
Show SMILES CC(=NNC(=O)c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C15H13BrN2O/c1-11(12-5-3-2-4-6-12)17-18-15(19)13-7-9-14(16)10-8-13/h2-10H,1H3,(H,18,19)
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n/an/an/an/a 2.00E+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/Q2M32T6M
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/an/an/a 717n/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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM47535
PNG
(MLS000583293 | N-[(3-bromoanilino)-sulfanylideneme...)
Show SMILES Brc1cccc(NC(=S)NC(=O)CCc2ccccc2)c1
Show InChI InChI=1S/C16H15BrN2OS/c17-13-7-4-8-14(11-13)18-16(21)19-15(20)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H2,18,19,20,21)
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n/an/an/an/a 2.96E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44040
PNG
(2-[(2E)-2-[(4-methylphenyl)methylidene]-3-oxidanyl...)
Show SMILES CC(C)OCCCNC(=O)CN1C(=O)\C(Sc2ccccc12)=C/c1ccc(C)cc1
Show InChI InChI=1S/C24H28N2O3S/c1-17(2)29-14-6-13-25-23(27)16-26-20-7-4-5-8-21(20)30-22(24(26)28)15-19-11-9-18(3)10-12-19/h4-5,7-12,15,17H,6,13-14,16H2,1-3H3,(H,25,27)/b22-15+
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n/an/an/an/a 2.11E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44053
PNG
((2-methyl-2,3-dihydroindol-1-yl)-(3-nitro-4-piperi...)
Show SMILES CC1Cc2ccccc2N1C(=O)c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H23N3O3/c1-15-13-16-7-3-4-8-18(16)23(15)21(25)17-9-10-19(20(14-17)24(26)27)22-11-5-2-6-12-22/h3-4,7-10,14-15H,2,5-6,11-13H2,1H3
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n/an/an/an/a 632n/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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44221
PNG
((2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl)...)
Show SMILES COc1cc(cc(OC)c1OC(=O)Cc1ccc(F)cc1)C(=S)N1CCOCC1
Show InChI InChI=1S/C21H22FNO5S/c1-25-17-12-15(21(29)23-7-9-27-10-8-23)13-18(26-2)20(17)28-19(24)11-14-3-5-16(22)6-4-14/h3-6,12-13H,7-11H2,1-2H3
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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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44064
PNG
(1-[(2-oxidanylidene-5-propan-2-yl-indol-3-yl)amino...)
Show SMILES CC(C)NC(=S)NNC1=c2cc(ccc2=NC1=O)C(C)C
Show InChI InChI=1S/C15H20N4OS/c1-8(2)10-5-6-12-11(7-10)13(14(20)17-12)18-19-15(21)16-9(3)4/h5-9H,1-4H3,(H2,16,19,21)(H,17,18,20)
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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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM47539
PNG
(6-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin...)
Show SMILES CCc1ccc(cc1)-n1c(SCC(=O)c2ccc3OCC(=O)Nc3c2)nc2ccccc2c1=O
Show InChI InChI=1S/C26H21N3O4S/c1-2-16-7-10-18(11-8-16)29-25(32)19-5-3-4-6-20(19)28-26(29)34-15-22(30)17-9-12-23-21(13-17)27-24(31)14-33-23/h3-13H,2,14-15H2,1H3,(H,27,31)
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n/an/an/an/a 5.18E+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/Q2M32T6M
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 3.13E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44148
PNG
((E)-4-(1,3-benzothiazol-2-yl)-5-(4-morpholin-4-yl-...)
Show SMILES OC(=O)CC\C(=C/c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C22H21N3O5S/c26-21(27)8-6-16(22-23-17-3-1-2-4-20(17)31-22)13-15-5-7-18(19(14-15)25(28)29)24-9-11-30-12-10-24/h1-5,7,13-14H,6,8-12H2,(H,26,27)/b16-13+
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n/an/an/an/a 1.22E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44155
PNG
((E)-4-(1,3-benzothiazol-2-yl)-5-(2-nitrophenyl)-4-...)
Show SMILES OC(=O)CC\C(=C/c1ccccc1[N+]([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C18H14N2O4S/c21-17(22)10-9-13(11-12-5-1-3-7-15(12)20(23)24)18-19-14-6-2-4-8-16(14)25-18/h1-8,11H,9-10H2,(H,21,22)/b13-11+
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n/an/an/an/a 3.50E+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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44158
PNG
(1-(4-fluorophenyl)-2-[[5-(phenylmethyl)-1,3,4-oxad...)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nnc(Cc2ccccc2)o1
Show InChI InChI=1S/C17H13FN2O2S/c18-14-8-6-13(7-9-14)15(21)11-23-17-20-19-16(22-17)10-12-4-2-1-3-5-12/h1-9H,10-11H2
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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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44166
PNG
(MLS000858987 | N'-(4-phenyl-1,3-thiazol-2-yl)-...)
Show SMILES O=C(NNc1nc(cs1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C14H11N3OS2/c18-13(12-7-4-8-19-12)16-17-14-15-11(9-20-14)10-5-2-1-3-6-10/h1-9H,(H,15,17)(H,16,18)
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n/an/an/an/a 189n/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/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44173
PNG
(2-[6-(4-Fluoro-phenyl)-pyridazin-3-ylsulfanyl]-1-(...)
Show SMILES CC1CCCCN1C(=O)CSc1ccc(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN3OS/c1-13-4-2-3-11-22(13)18(23)12-24-17-10-9-16(20-21-17)14-5-7-15(19)8-6-14/h5-10,13H,2-4,11-12H2,1H3
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n/an/an/an/a 8.19E+6n/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)
BDBM44174
PNG
(2-[4-[1-[1-(2-furanylmethyl)-5-tetrazolyl]pentyl]-...)
Show SMILES CCCCC(N1CCN(CC1)c1nc2ccccc2s1)c1nnnn1Cc1ccco1
Show InChI InChI=1S/C22H27N7OS/c1-2-3-9-19(21-24-25-26-29(21)16-17-7-6-15-30-17)27-11-13-28(14-12-27)22-23-18-8-4-5-10-20(18)31-22/h4-8,10,15,19H,2-3,9,11-14,16H2,1H3
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n/an/an/an/a 9.22E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43920
PNG
(MLS000032522 | N-[1-(2-Methoxy-phenyl)-1H-benzoimi...)
Show SMILES COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C20H17N3O3S/c1-26-20-10-6-5-9-19(20)23-14-21-17-13-15(11-12-18(17)23)22-27(24,25)16-7-3-2-4-8-16/h2-14,22H,1H3
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n/an/an/an/a 1.01E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM43933
PNG
((4-methoxyphenyl)-(3-phenyl-1-piperidinyl)methanon...)
Show SMILES COc1ccc(cc1)C(=O)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-22-18-11-9-16(10-12-18)19(21)20-13-5-8-17(14-20)15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3
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n/an/an/an/a 1.10E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM44184
PNG
(2-(2-furanyl)-5-[4-(phenylmethyl)-1-piperazinyl]-4...)
Show SMILES N#Cc1nc(oc1N1CCN(Cc2ccccc2)CC1)-c1ccco1
Show InChI InChI=1S/C19H18N4O2/c20-13-16-19(25-18(21-16)17-7-4-12-24-17)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 4.59E+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)
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)
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)
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)
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)
BDBM43983
PNG
(2-(4-benzyl-1-piperazinyl)-4,6-dimethylnicotinonit...)
Show SMILES Cc1cc(C)c(C#N)c(n1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N4/c1-15-12-16(2)21-19(18(15)13-20)23-10-8-22(9-11-23)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3
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n/an/an/an/a 1.94E+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
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* indicates data uncertainty>20%