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There are 295 purchasable compounds for target: KCC2

Wt: 635.9
BDBM18864
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Wt: 364.4
BDBM25903
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Wt: 349.4
BDBM30857
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Wt: 372.4
BDBM32915
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Wt: 282.2
BDBM32113
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Wt: 389.4
BDBM39112
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Wt: 475.5
BDBM41359
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Wt: 461.5
BDBM41369
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Wt: 450.9
BDBM39676
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Wt: 357.4
BDBM43503
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Wt: 267.2
BDBM43432
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Wt: 428.9
BDBM43082
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Wt: 430.5
BDBM43063
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Wt: 317.1
BDBM41608
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Wt: 373.2
BDBM42795
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Displayed 1 to 15 (of 295 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 18864,25903,30857,32113,32915,39112,39676,41359,41369,41608,42795,43063,43082,43432,43503   
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 (Human))
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

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


(Homo sapiens (Human))
BDBM32915
PNG
(2-keto-3,4-dimethyl-6-(3-thienyl)-1,6-dihydropyrim...)
Show SMILES CN1C(=O)NC(c2ccsc2)C(C(=O)OCCOc2ccccc2)=C1C
Show InChI InChI=1S/C19H20N2O4S/c1-13-16(17(14-8-11-26-12-14)20-19(23)21(13)2)18(22)25-10-9-24-15-6-4-3-5-7-15/h3-8,11-12,17H,9-10H2,1-2H3,(H,20,23)
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n/an/an/an/a 6.12E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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


(Homo sapiens (Human))
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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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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


(Homo sapiens (Human))
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

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


(Homo sapiens (Human))
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

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


(Homo sapiens (Human))
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/an/an/a 2.11E+3n/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...


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


(Homo sapiens (Human))
BDBM43432
PNG
(4-[(4-fluorobenzyl)thio]-2-methyl-5-nitro-1H-imida...)
Show SMILES Cc1nc(c(SCc2ccc(F)cc2)[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C11H10FN3O2S/c1-7-13-10(15(16)17)11(14-7)18-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,14)
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n/an/an/an/a 8.78E+5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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


(Homo sapiens (Human))
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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More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
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

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


(Homo sapiens (Human))
BDBM18864
PNG
(3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]pr...)
Show SMILES OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C15H11I3O4/c16-10-7-9(2-3-13(10)19)22-15-11(17)5-8(6-12(15)18)1-4-14(20)21/h2-3,5-7,19H,1,4H2,(H,20,21)
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n/an/an/an/a 5.39E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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


(Homo sapiens (Human))
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 2.94E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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


(Homo sapiens (Human))
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 5.46E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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


(Homo sapiens (Human))
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 546n/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...


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


(Homo sapiens (Human))
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 1.03E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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


(Homo sapiens (Human))
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 3.19E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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


(Homo sapiens (Human))
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/an/an/a 2.34E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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


(Homo sapiens (Human))
BDBM41608
PNG
((4,5-dichloro-6-oxopyridazin-1-yl)methyl 4-fluorob...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C12H7Cl2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
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n/an/an/an/a 1.41E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

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


(Homo sapiens (Human))
BDBM43082
PNG
(MLS000589154 | N-(4-Chloro-phenyl)-2-(3-ethyl-4-ox...)
Show SMILES CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2nc3CCCCc3cc2c1=O
Show InChI InChI=1S/C21H21ClN4O2S/c1-2-26-20(28)16-11-13-5-3-4-6-17(13)24-19(16)25-21(26)29-12-18(27)23-15-9-7-14(22)8-10-15/h7-11H,2-6,12H2,1H3,(H,23,27)
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n/an/an/an/a 2.82E+4n/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...


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


(Homo sapiens (Human))
BDBM43432
PNG
(4-[(4-fluorobenzyl)thio]-2-methyl-5-nitro-1H-imida...)
Show SMILES Cc1nc(c(SCc2ccc(F)cc2)[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C11H10FN3O2S/c1-7-13-10(15(16)17)11(14-7)18-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,14)
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n/an/an/an/a 6.28E+3n/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...


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


(Homo sapiens (Human))
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

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


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


(Homo sapiens (Human))
BDBM18864
PNG
(3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]pr...)
Show SMILES OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C15H11I3O4/c16-10-7-9(2-3-13(10)19)22-15-11(17)5-8(6-12(15)18)1-4-14(20)21/h2-3,5-7,19H,1,4H2,(H,20,21)
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n/an/an/an/a 1.11E+4n/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...


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


(Homo sapiens (Human))
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 3.10E+3n/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...


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


(Homo sapiens (Human))
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 1.55E+5n/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...


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


(Homo sapiens (Human))
BDBM18864
PNG
(3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]pr...)
Show SMILES OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C15H11I3O4/c16-10-7-9(2-3-13(10)19)22-15-11(17)5-8(6-12(15)18)1-4-14(20)21/h2-3,5-7,19H,1,4H2,(H,20,21)
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n/an/an/an/a 4.25E+3n/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...


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


(Homo sapiens (Human))
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...


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


(Homo sapiens (Human))
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


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


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


(Homo sapiens (Human))
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 2.34E+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...


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


(Homo sapiens (Human))
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 2.65E+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...


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


(Homo sapiens (Human))
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 2.33E+5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


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


(Homo sapiens (Human))
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 4.93E+3n/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...


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


(Homo sapiens (Human))
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 1.74E+3n/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...


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


(Homo sapiens (Human))
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/an/an/a 1.70E+3n/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...


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


(Homo sapiens (Human))
BDBM41608
PNG
((4,5-dichloro-6-oxopyridazin-1-yl)methyl 4-fluorob...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C12H7Cl2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
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n/an/an/an/a 3.32E+3n/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...


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


(Homo sapiens (Human))
BDBM43063
PNG
((4-Ethyl-phenoxy)-acetic acid N'-[2-(5,6-dimet...)
Show SMILES CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1
Show InChI InChI=1S/C20H22N4O3S2/c1-4-14-5-7-15(8-6-14)27-9-16(25)23-24-17(26)10-28-19-18-12(2)13(3)29-20(18)22-11-21-19/h5-8,11H,4,9-10H2,1-3H3,(H,23,25)(H,24,26)
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n/an/an/an/a 1.07E+6n/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...


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


(Homo sapiens (Human))
BDBM43082
PNG
(MLS000589154 | N-(4-Chloro-phenyl)-2-(3-ethyl-4-ox...)
Show SMILES CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2nc3CCCCc3cc2c1=O
Show InChI InChI=1S/C21H21ClN4O2S/c1-2-26-20(28)16-11-13-5-3-4-6-17(13)24-19(16)25-21(26)29-12-18(27)23-15-9-7-14(22)8-10-15/h7-11H,2-6,12H2,1H3,(H,23,27)
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n/an/an/an/a 4.55E+4n/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...


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


(Homo sapiens (Human))
BDBM43432
PNG
(4-[(4-fluorobenzyl)thio]-2-methyl-5-nitro-1H-imida...)
Show SMILES Cc1nc(c(SCc2ccc(F)cc2)[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C11H10FN3O2S/c1-7-13-10(15(16)17)11(14-7)18-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,14)
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n/an/an/an/a 4.66E+3n/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...


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


(Homo sapiens (Human))
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

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


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More data for this
Ligand-Target Pair