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Compile Data Set for Download or QSAR

Found 308 hits Enz. Inhib. hit(s) with all data for entry = 4038   
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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44171
PNG
((2Z)-1-cyclobutyl-2-(3-methyl-1,3-benzothiazol-2-y...)
Show SMILES CN1C(Sc2ccccc12)=CC(=O)C1CCC1 |w:10.12|
Show InChI InChI=1S/C14H15NOS/c1-15-11-7-2-3-8-13(11)17-14(15)9-12(16)10-5-4-6-10/h2-3,7-10H,4-6H2,1H3
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n/an/an/an/a 1.70E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM37946
PNG
(MLS000074514 | N-(4-Methyl-furazan-3-yl)-2-(6-phen...)
Show SMILES Cc1nonc1NC(=O)CSc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H13N5O2S/c1-10-15(20-22-19-10)16-13(21)9-23-14-8-7-12(17-18-14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,20,21)
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n/an/an/an/a 1.13E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
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 9.90E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43910
PNG
(6-Methyl-3-({phenethyl-[1-(tetrahydro-furan-2-ylme...)
Show SMILES Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3CC3CCCO3)cc2c1
Show InChI InChI=1S/C26H30N6O2/c1-19-9-10-24-21(14-19)15-22(26(33)27-24)16-31(12-11-20-6-3-2-4-7-20)18-25-28-29-30-32(25)17-23-8-5-13-34-23/h2-4,6-7,9-10,14-15,23H,5,8,11-13,16-18H2,1H3,(H,27,33)
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n/an/an/an/a 2.44E+5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43911
PNG
(2-[5-(1H-Indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl...)
Show SMILES O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)N1CCCCC1
Show InChI InChI=1S/C17H18N4O2S/c22-15(21-8-4-1-5-9-21)11-24-17-20-19-16(23-17)13-10-18-14-7-3-2-6-12(13)14/h2-3,6-7,10,18H,1,4-5,8-9,11H2
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n/an/an/an/a 3.79E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM42576
PNG
(2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]...)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H22FN5OS/c25-18-7-1-4-10-21(18)29-12-14-30(15-13-29)22(31)16-32-24-17(6-5-11-26-24)23-27-19-8-2-3-9-20(19)28-23/h1-11H,12-16H2,(H,27,28)
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n/an/an/an/a 9.45E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
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 1.24E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43913
PNG
(MLS000076090 | N-[2-(2-Fluoro-phenyl)-ethyl]-3-(mo...)
Show SMILES Fc1ccccc1CCNS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H21FN2O5S2/c19-18-7-2-1-4-15(18)8-9-20-27(22,23)16-5-3-6-17(14-16)28(24,25)21-10-12-26-13-11-21/h1-7,14,20H,8-13H2
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n/an/an/an/a 4.04E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43914
PNG
(3-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl...)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)Cn1nnc2n(ncc2c1=O)-c1ccccc1
Show InChI InChI=1S/C22H20FN7O2/c23-18-8-4-5-9-19(18)27-10-12-28(13-11-27)20(31)15-29-22(32)17-14-24-30(21(17)25-26-29)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
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n/an/an/an/a 1.56E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43915
PNG
(3-(4-Benzyl-piperazin-1-yl)-benzo[d]isothiazole 1,...)
Show SMILES O=S1(=O)N=C(N2CCN(Cc3ccccc3)CC2)c2ccccc12 |t:3|
Show InChI InChI=1S/C18H19N3O2S/c22-24(23)17-9-5-4-8-16(17)18(19-24)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-9H,10-14H2
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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

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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43916
PNG
(1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[1-(phenylme...)
Show SMILES CC1Cc2ccccc2N1C(=O)CSc1nnnn1Cc1ccccc1
Show InChI InChI=1S/C19H19N5OS/c1-14-11-16-9-5-6-10-17(16)24(14)18(25)13-26-19-20-21-22-23(19)12-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
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n/an/an/an/a 1.91E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44175
PNG
(1-(2-Fluoro-phenyl)-4-[(4-methoxy-phenyl)-(1-thiop...)
Show SMILES COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1F)c1nnnn1Cc1cccs1
Show InChI InChI=1S/C24H25FN6OS/c1-32-19-10-8-18(9-11-19)23(24-26-27-28-31(24)17-20-5-4-16-33-20)30-14-12-29(13-15-30)22-7-3-2-6-21(22)25/h2-11,16,23H,12-15,17H2,1H3
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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/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44176
PNG
(2-[5-(1H-Indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl...)
Show SMILES CC1CCCCN1C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H20N4O2S/c1-12-6-4-5-9-22(12)16(23)11-25-18-21-20-17(24-18)14-10-19-15-8-3-2-7-13(14)15/h2-3,7-8,10,12,19H,4-6,9,11H2,1H3
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n/an/an/an/a 1.07E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43918
PNG
(2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfan...)
Show SMILES COc1ccc(OC)c(c1)-n1nnnc1SCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C19H21N5O3S/c1-26-15-8-9-17(27-2)16(12-15)24-19(21-22-23-24)28-13-18(25)20-11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,20,25)
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n/an/an/an/a 2.42E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44177
PNG
(MLS000073516 | N-(phenylmethyl)-2-[5-[2-(1,2,3,4-t...)
Show SMILES O=C(Cn1nnc(n1)-c1ccccc1-n1cnnn1)NCc1ccccc1
Show InChI InChI=1S/C17H15N9O/c27-16(18-10-13-6-2-1-3-7-13)11-26-21-17(20-23-26)14-8-4-5-9-15(14)25-12-19-22-24-25/h1-9,12H,10-11H2,(H,18,27)
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n/an/an/an/a 2.40E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43919
PNG
(5-(4-Chloro-phenoxymethyl)-3H-[1,3,4]oxadiazole-2-...)
Show SMILES Sc1nnc(COc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C9H7ClN2O2S/c10-6-1-3-7(4-2-6)13-5-8-11-12-9(15)14-8/h1-4H,5H2,(H,12,15)
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n/an/an/an/a 4.06E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
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 1.64E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44179
PNG
(1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-phenylaminom...)
Show SMILES O=C(CSc1nnc(CNc2ccccc2)o1)N1CCCc2ccccc12
Show InChI InChI=1S/C20H20N4O2S/c25-19(24-12-6-8-15-7-4-5-11-17(15)24)14-27-20-23-22-18(26-20)13-21-16-9-2-1-3-10-16/h1-5,7,9-11,21H,6,8,12-14H2
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n/an/an/an/a 3.46E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43921
PNG
(MLS000033642 | N,N-Dimethyl-3-[4-(5-methyl-benzotr...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)n1nnc2cc(C)ccc12
Show InChI InChI=1S/C20H25N5O4S2/c1-15-7-8-20-19(13-15)21-22-25(20)16-9-11-24(12-10-16)31(28,29)18-6-4-5-17(14-18)30(26,27)23(2)3/h4-8,13-14,16H,9-12H2,1-3H3
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n/an/an/an/a 4.09E+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/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44180
PNG
(1-[2-(4-Benzyl-piperidin-1-yl)-2-oxo-ethyl]-4-meth...)
Show SMILES CCOC(=O)c1cc2n(C)ccc2n1CC(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-3-30-24(29)22-16-21-20(11-12-25(21)2)27(22)17-23(28)26-13-9-19(10-14-26)15-18-7-5-4-6-8-18/h4-8,11-12,16,19H,3,9-10,13-15,17H2,1-2H3
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n/an/an/an/a 7.58E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43922
PNG
(2-Methyl-2H-pyrazole-3-carboxylic acid (4-phenyl-t...)
Show SMILES Cn1nccc1C(=O)OCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H14N4O3S/c1-20-13(7-8-17-20)15(22)23-9-14(21)19-16-18-12(10-24-16)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19,21)
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n/an/an/an/a 1.09E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
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 1.85E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43924
PNG
(2-[5-(4-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfan...)
Show SMILES Fc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)o1
Show InChI InChI=1S/C19H17FN4O4S/c20-14-5-3-13(4-6-14)17-21-22-19(28-17)29-12-16(25)23-7-9-24(10-8-23)18(26)15-2-1-11-27-15/h1-6,11H,7-10,12H2
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n/an/an/an/a 1.77E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43926
PNG
(2-[6-(4-Fluoro-phenyl)-pyridazin-3-ylsulfanyl]-1-(...)
Show SMILES CC1CCN(CC1)C(=O)CSc1ccc(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN3OS/c1-13-8-10-22(11-9-13)18(23)12-24-17-7-6-16(20-21-17)14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3
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n/an/an/an/a 3.08E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43927
PNG
(5-[2-(2,3-Dimethyl-phenoxy)-ethyl]-[1,3,4]thiadiaz...)
Show SMILES Cc1cccc(OCCc2nnc(N)s2)c1C
Show InChI InChI=1S/C12H15N3OS/c1-8-4-3-5-10(9(8)2)16-7-6-11-14-15-12(13)17-11/h3-5H,6-7H2,1-2H3,(H2,13,15)
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n/an/an/an/a 5.23E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43928
PNG
(1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[4-furan-2-y...)
Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccco1
Show InChI InChI=1S/C24H22N4O3S/c29-20-9-7-18(8-10-20)23-25-26-24(28(23)15-21-6-3-13-31-21)32-16-22(30)27-12-11-17-4-1-2-5-19(17)14-27/h1-10,13,29H,11-12,14-16H2
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n/an/an/an/a 1.53E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44181
PNG
(4-[(1-tert-amyltetrazol-5-yl)-[4-(1,3-benzothiazol...)
Show SMILES CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C25H31N7O2S/c1-5-25(2,3)32-23(27-28-29-32)22(17-10-11-19(33)20(16-17)34-4)30-12-14-31(15-13-30)24-26-18-8-6-7-9-21(18)35-24/h6-11,16,22,33H,5,12-15H2,1-4H3
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n/an/an/an/a 9.05E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43929
PNG
(2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-thiophen...)
Show SMILES CCn1nnnc1SCC(=O)Nc1nc(cs1)-c1cccs1
Show InChI InChI=1S/C12H12N6OS3/c1-2-18-12(15-16-17-18)22-7-10(19)14-11-13-8(6-21-11)9-4-3-5-20-9/h3-6H,2,7H2,1H3,(H,13,14,19)
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n/an/an/an/a 1.97E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44182
PNG
(2-[5-(2,3-Dimethyl-phenoxymethyl)-4-methyl-4H-[1,2...)
Show SMILES Cc1cccc(OCc2nnc(SCC(=O)c3cccs3)n2C)c1C
Show InChI InChI=1S/C18H19N3O2S2/c1-12-6-4-7-15(13(12)2)23-10-17-19-20-18(21(17)3)25-11-14(22)16-8-5-9-24-16/h4-9H,10-11H2,1-3H3
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n/an/an/an/a 9.26E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44183
PNG
(5-[1-(4-Fluoro-benzenesulfonyl)-piperidin-4-yl]-3-...)
Show SMILES Cc1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H23FN6O3S/c1-15-2-4-16(5-3-15)14-30-22-20(27-28-30)23(31)26-21(25-22)17-10-12-29(13-11-17)34(32,33)19-8-6-18(24)7-9-19/h2-9,17H,10-14H2,1H3,(H,25,26,31)
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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

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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43931
PNG
(3-(4-Chloro-phenyl)-4-{2-[4-(2-fluoro-phenyl)-pipe...)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)Cn1c(noc1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClFN4O3/c21-15-7-5-14(6-8-15)19-23-29-20(28)26(19)13-18(27)25-11-9-24(10-12-25)17-4-2-1-3-16(17)22/h1-8H,9-13H2
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n/an/an/an/a 6.07E+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
Solute carrier family 12 member 5


(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

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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50240510
PNG
(CHEMBL898 | DIFLUNISAL)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
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n/an/an/an/a 1.06E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(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

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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM50077844
PNG
(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
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n/an/an/an/a 3.29E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(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

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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43932
PNG
(3-(4-aminophenyl)-7-(diethylamino)-4-methyl-1-benz...)
Show SMILES CCN(CC)c1ccc2c(C)c(-c3ccc(N)cc3)c(=O)oc2c1
Show InChI InChI=1S/C20H22N2O2/c1-4-22(5-2)16-10-11-17-13(3)19(20(23)24-18(17)12-16)14-6-8-15(21)9-7-14/h6-12H,4-5,21H2,1-3H3
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n/an/an/an/a 1.08E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
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
Solute carrier family 12 member 5


(Homo sapiens (Human))
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 1.77E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43936
PNG
((1-phenylbenzimidazol-5-yl)-(4-pyridylmethyl)amine...)
Show SMILES C(Nc1ccc2n(cnc2c1)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C19H16N4/c1-2-4-17(5-3-1)23-14-22-18-12-16(6-7-19(18)23)21-13-15-8-10-20-11-9-15/h1-12,14,21H,13H2
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n/an/an/an/a 5.54E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44185
PNG
(2-(4-benzyl-2,5-diketo-imidazolidin-1-yl)-N-(cyclo...)
Show SMILES O=C(CN1C(=O)NC(Cc2ccccc2)C1=O)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C19H24N4O4/c24-16(22-18(26)20-14-9-5-2-6-10-14)12-23-17(25)15(21-19(23)27)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,21,27)(H2,20,22,24,26)
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n/an/an/an/a 6.99E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43938
PNG
(MLS000055087 | N-[2-(1H-indol-3-yl)ethyl]-2-(4-mor...)
Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C26H32N4O4S/c31-26(27-11-10-20-19-28-24-7-3-2-6-22(20)24)23-18-21(35(32,33)30-12-4-1-5-13-30)8-9-25(23)29-14-16-34-17-15-29/h2-3,6-9,18-19,28H,1,4-5,10-17H2,(H,27,31)
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n/an/an/an/a 2.01E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43939
PNG
(2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4...)
Show SMILES Clc1ccc(cc1)-n1nnnc1SCC(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C18H16ClN5OS/c19-15-5-7-16(8-6-15)24-18(20-21-22-24)26-12-17(25)23-10-9-13-3-1-2-4-14(13)11-23/h1-8H,9-12H2
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n/an/an/an/a 3.26E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43940
PNG
(3-(4-methylphenoxy)propanoic acid [2-(2-methyl-2,3...)
Show SMILES CC1Cc2ccccc2N1C(=O)COC(=O)CCOc1ccc(C)cc1
Show InChI InChI=1S/C21H23NO4/c1-15-7-9-18(10-8-15)25-12-11-21(24)26-14-20(23)22-16(2)13-17-5-3-4-6-19(17)22/h3-10,16H,11-14H2,1-2H3
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n/an/an/an/a 4.40E+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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43941
PNG
(4-(2-benzo[cd]indolylamino)-1,5-dimethyl-2-phenyl-...)
Show SMILES Cc1c(N=C2Nc3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C |w:3.2|
Show InChI InChI=1S/C22H18N4O/c1-14-20(22(27)26(25(14)2)16-10-4-3-5-11-16)24-21-17-12-6-8-15-9-7-13-18(23-21)19(15)17/h3-13H,1-2H3,(H,23,24)
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n/an/an/an/a 1.89E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM44186
PNG
(3,4-dihydro-1H-isoquinolin-2-yl-(1-thiophen-2-ylsu...)
Show SMILES O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H22N2O3S2/c22-19(20-10-7-15-4-1-2-5-17(15)14-20)16-8-11-21(12-9-16)26(23,24)18-6-3-13-25-18/h1-6,13,16H,7-12,14H2
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n/an/an/an/a 4.18E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
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