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Compile Data Set for Download or QSAR

Found 971 hits of ec50 data for polymerid = 50006084   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens)
BDBM25903
PNG
(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Show SMILES CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
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n/an/an/an/a 0.0469n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43903
PNG
(6-amino-3-methyl-5-[1-oxo-2-[[5-(phenylmethyl)-1,3...)
Show SMILES CCCn1c(N)c(C(=O)CSc2nnc(Cc3ccccc3)o2)c(=O)n(C)c1=O
Show InChI InChI=1S/C19H21N5O4S/c1-3-9-24-16(20)15(17(26)23(2)19(24)27)13(25)11-29-18-22-21-14(28-18)10-12-7-5-4-6-8-12/h4-8H,3,9-11,20H2,1-2H3
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n/an/an/an/a 0.110n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM25903
PNG
(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |...)
Show SMILES CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
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n/an/an/an/a 1.08n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM47528
PNG
(2-(4-Isobutoxy-phenyl)-5-(4-methoxy-phenyl)-[1,3,4...)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc(OCC(C)C)cc1
Show InChI InChI=1S/C19H20N2O3/c1-13(2)12-23-17-10-6-15(7-11-17)19-21-20-18(24-19)14-4-8-16(22-3)9-5-14/h4-11,13H,12H2,1-3H3
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n/an/an/an/a 1.27n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43903
PNG
(6-amino-3-methyl-5-[1-oxo-2-[[5-(phenylmethyl)-1,3...)
Show SMILES CCCn1c(N)c(C(=O)CSc2nnc(Cc3ccccc3)o2)c(=O)n(C)c1=O
Show InChI InChI=1S/C19H21N5O4S/c1-3-9-24-16(20)15(17(26)23(2)19(24)27)13(25)11-29-18-22-21-14(28-18)10-12-7-5-4-6-8-12/h4-8H,3,9-11,20H2,1-2H3
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n/an/an/an/a 4.66n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44020
PNG
(MLS000547345 | N'-(4-phenyl-1,3-thiazol-2-yl)b...)
Show SMILES O=C(NNc1nc(cs1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c20-15(13-9-5-2-6-10-13)18-19-16-17-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H,17,19)(H,18,20)
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n/an/an/an/a 10.6n/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)

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/an/an/a 17n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44020
PNG
(MLS000547345 | N'-(4-phenyl-1,3-thiazol-2-yl)b...)
Show SMILES O=C(NNc1nc(cs1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c20-15(13-9-5-2-6-10-13)18-19-16-17-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H,17,19)(H,18,20)
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n/an/an/an/a 24n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44020
PNG
(MLS000547345 | N'-(4-phenyl-1,3-thiazol-2-yl)b...)
Show SMILES O=C(NNc1nc(cs1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c20-15(13-9-5-2-6-10-13)18-19-16-17-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H,17,19)(H,18,20)
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n/an/an/an/a 29.5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
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 32.3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
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)

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


(Homo sapiens)
BDBM44222
PNG
(5-(4-ethoxyanilino)-3H-1,3,4-thiadiazole-2-thione ...)
Show SMILES CCOc1ccc(Nc2nnc(S)s2)cc1
Show InChI InChI=1S/C10H11N3OS2/c1-2-14-8-5-3-7(4-6-8)11-9-12-13-10(15)16-9/h3-6H,2H2,1H3,(H,11,12)(H,13,15)
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n/an/an/an/a 46.5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44014
PNG
(3-[(2-fluorophenyl)methylsulfanyl]-N-[(E)-3-phenyl...)
Show SMILES Fc1ccccc1CSc1nncn1NC\C=C\c1ccccc1
Show InChI InChI=1S/C18H17FN4S/c19-17-11-5-4-10-16(17)13-24-18-22-20-14-23(18)21-12-6-9-15-7-2-1-3-8-15/h1-11,14,21H,12-13H2/b9-6+
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n/an/an/an/a 56.7n/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)

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 66.5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44145
PNG
(2-chloranyl-N-[3-(dimethylsulfamoyl)phenyl]-5,5-bi...)
Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc3c(cc2Cl)N2CCCCC=C2NS3(=O)=O)c1
Show InChI InChI=1S/C21H23ClN4O5S2/c1-25(2)33(30,31)15-8-6-7-14(11-15)23-21(27)16-12-19-18(13-17(16)22)26-10-5-3-4-9-20(26)24-32(19,28)29/h6-9,11-13,24H,3-5,10H2,1-2H3,(H,23,27)
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n/an/an/an/a 67.6n/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)

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 69.9n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44219
PNG
(1-Benzo[1,3]dioxol-5-yl-3-(4-chloro-benzoyl)-thiou...)
Show SMILES Clc1ccc(cc1)C(=O)NC(=S)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C15H11ClN2O3S/c16-10-3-1-9(2-4-10)14(19)18-15(22)17-11-5-6-12-13(7-11)21-8-20-12/h1-7H,8H2,(H2,17,18,19,22)
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n/an/an/an/a 74.1n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
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 82.2n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
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/an/an/a 85.3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
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 102n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44009
PNG
(7-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfa...)
Show SMILES CCc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1
Show InChI InChI=1S/C17H15N5OS3/c1-2-11-3-5-12(6-4-11)18-15-20-21-17(26-15)25-10-13-9-14(23)22-7-8-24-16(22)19-13/h3-9H,2,10H2,1H3,(H,18,20)
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n/an/an/an/a 113n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


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



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
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 125n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
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)

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


(Homo sapiens)
BDBM44021
PNG
((5Z)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyra...)
Show SMILES Cc1c(N2C(=S)S\C(=C/c3ccc(C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C22H19N3O2S2/c1-14-9-11-16(12-10-14)13-18-20(26)24(22(28)29-18)19-15(2)23(3)25(21(19)27)17-7-5-4-6-8-17/h4-13H,1-3H3/b18-13-
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n/an/an/an/a 130n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43900
PNG
(2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4-phenyl-...)
Show SMILES OC(=O)c1c(NC(=O)\C=C\c2ccccc2)scc1-c1ccccc1
Show InChI InChI=1S/C20H15NO3S/c22-17(12-11-14-7-3-1-4-8-14)21-19-18(20(23)24)16(13-25-19)15-9-5-2-6-10-15/h1-13H,(H,21,22)(H,23,24)/b12-11+
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n/an/an/an/a 134n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43923
PNG
(1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-(5-phenylami...)
Show SMILES CC1Cc2ccccc2N1C(=O)CSc1nnc(CNc2ccccc2)o1
Show InChI InChI=1S/C20H20N4O2S/c1-14-11-15-7-5-6-10-17(15)24(14)19(25)13-27-20-23-22-18(26-20)12-21-16-8-3-2-4-9-16/h2-10,14,21H,11-13H2,1H3
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n/an/an/an/a 137n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
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 153n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


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

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)

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 158n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44116
PNG
(2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-...)
Show SMILES Cc1cc(NC(=O)CSc2ccc(nn2)-c2ccc(F)cc2)no1
Show InChI InChI=1S/C16H13FN4O2S/c1-10-8-14(21-23-10)18-15(22)9-24-16-7-6-13(19-20-16)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,21,22)
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n/an/an/an/a 171n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44166
PNG
(MLS000858987 | N'-(4-phenyl-1,3-thiazol-2-yl)-...)
Show SMILES O=C(NNc1nc(cs1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C14H11N3OS2/c18-13(12-7-4-8-19-12)16-17-14-15-11(9-20-14)10-5-2-1-3-6-10/h1-9H,(H,15,17)(H,16,18)
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n/an/an/an/a 174n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44059
PNG
(4-methoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbo...)
Show SMILES COc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H20N4O4S/c1-27-17-8-2-14(3-9-17)18(24)20-19(28)22-12-10-21(11-13-22)15-4-6-16(7-5-15)23(25)26/h2-9H,10-13H2,1H3,(H,20,24,28)
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n/an/an/an/a 178n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44116
PNG
(2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-...)
Show SMILES Cc1cc(NC(=O)CSc2ccc(nn2)-c2ccc(F)cc2)no1
Show InChI InChI=1S/C16H13FN4O2S/c1-10-8-14(21-23-10)18-15(22)9-24-16-7-6-13(19-20-16)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,21,22)
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n/an/an/an/a 182n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


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

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


(Homo sapiens)
BDBM44044
PNG
(1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-...)
Show SMILES Cc1ccc2oc(nc2c1)-c1ccc(C)c(NC(=S)NC(=O)c2cccs2)c1
Show InChI InChI=1S/C21H17N3O2S2/c1-12-5-8-17-16(10-12)22-20(26-17)14-7-6-13(2)15(11-14)23-21(27)24-19(25)18-4-3-9-28-18/h3-11H,1-2H3,(H2,23,24,25,27)
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n/an/an/an/a 200n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44009
PNG
(7-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfa...)
Show SMILES CCc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1
Show InChI InChI=1S/C17H15N5OS3/c1-2-11-3-5-12(6-4-11)18-15-20-21-17(26-15)25-10-13-9-14(23)22-7-8-24-16(22)19-13/h3-9H,2,10H2,1H3,(H,18,20)
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n/an/an/an/a 202n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43904
PNG
(2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-...)
Show SMILES Fc1ccc(cc1)-c1csc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)n1
Show InChI InChI=1S/C18H17FN4O3S/c19-12-5-3-11(4-6-12)13-10-27-16(20-13)21-14(24)9-23-15(25)18(22-17(23)26)7-1-2-8-18/h3-6,10H,1-2,7-9H2,(H,22,26)(H,20,21,24)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM43891
PNG
(N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin...)
Show SMILES Cc1csc(NC(=O)CSc2ccc(nn2)-c2ccccc2)n1
Show InChI InChI=1S/C16H14N4OS2/c1-11-9-23-16(17-11)18-14(21)10-22-15-8-7-13(19-20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


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

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44078
PNG
(5-(1-naphthalenylmethyl)-3H-1,3,4-oxadiazole-2-thi...)
Show SMILES Sc1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C13H10N2OS/c17-13-15-14-12(16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,15,17)
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n/an/an/an/a 269n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44130
PNG
(MLS000674627 | N-[2-(4-benzylpiperazin-1-yl)-2-oxo...)
Show SMILES CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C20H23N5O3S2/c1-23(30(27,28)18-9-5-8-17-20(18)22-29-21-17)15-19(26)25-12-10-24(11-13-25)14-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3
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n/an/an/an/a 270n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44168
PNG
(3-(2-chlorophenyl)-5-methyl-N-(p-cumenylthiocarbam...)
Show SMILES CC(C)c1ccc(NC(=S)NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H20ClN3O2S/c1-12(2)14-8-10-15(11-9-14)23-21(28)24-20(26)18-13(3)27-25-19(18)16-6-4-5-7-17(16)22/h4-12H,1-3H3,(H2,23,24,26,28)
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n/an/an/an/a 271n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44009
PNG
(7-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfa...)
Show SMILES CCc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1
Show InChI InChI=1S/C17H15N5OS3/c1-2-11-3-5-12(6-4-11)18-15-20-21-17(26-15)25-10-13-9-14(23)22-7-8-24-16(22)19-13/h3-9H,2,10H2,1H3,(H,18,20)
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n/an/an/an/a 281n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44078
PNG
(5-(1-naphthalenylmethyl)-3H-1,3,4-oxadiazole-2-thi...)
Show SMILES Sc1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C13H10N2OS/c17-13-15-14-12(16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,15,17)
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n/an/an/an/a 283n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44156
PNG
((E)-3-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-1,3...)
Show SMILES COc1ccc(cc1)-c1nnc(S\C(=C\c2ccc(Cl)cc2)C(O)=O)o1
Show InChI InChI=1S/C18H13ClN2O4S/c1-24-14-8-4-12(5-9-14)16-20-21-18(25-16)26-15(17(22)23)10-11-2-6-13(19)7-3-11/h2-10H,1H3,(H,22,23)/b15-10+
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n/an/an/an/a 287n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


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



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44030
PNG
(1-[(Z)-[2-oxidanylidene-1-(phenylmethyl)indol-3-yl...)
Show SMILES NC(=S)NN=C1C(=O)N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C16H14N4OS/c17-16(22)19-18-14-12-8-4-5-9-13(12)20(15(14)21)10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,17,19,22)
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n/an/an/an/a 295n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

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


(Homo sapiens)
BDBM44078
PNG
(5-(1-naphthalenylmethyl)-3H-1,3,4-oxadiazole-2-thi...)
Show SMILES Sc1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C13H10N2OS/c17-13-15-14-12(16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,15,17)
Reactome pathway
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n/an/an/an/a 304n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
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