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Compile Data Set for Download or QSAR

Found 289 hits Enz. Inhib. hit(s) with all data for entry = 4095   
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))		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 1.56E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 4.11E+7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 3.78E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 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...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
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 4.39E+5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 1.52E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 3.12E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM47511
PNG
(2-[3-(2-fluorophenyl)-6-keto-pyridazin-1-yl]-N-pip...)
Show SMILES Fc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C20H16FN3O4/c21-15-4-2-1-3-14(15)16-6-8-20(26)24(23-16)11-19(25)22-10-13-5-7-17-18(9-13)28-12-27-17/h1-9H,10-12H2,(H,22,25)
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n/an/an/an/a 8.27E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 3.28E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM47512
PNG
(1-(4-methylphenyl)-2-[[5-(8-quinolinyloxymethyl)-1...)
Show SMILES Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1
Show InChI InChI=1S/C21H17N3O3S/c1-14-7-9-15(10-8-14)17(25)13-28-21-24-23-19(27-21)12-26-18-6-2-4-16-5-3-11-22-20(16)18/h2-11H,12-13H2,1H3
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n/an/an/an/a 8.12E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
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 1.73E+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/Q2M32T6M
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 6.91E+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/Q2M32T6M
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 1.08E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM47513
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(5-phenyla...)
Show SMILES O=C(CSc1nnc(CNc2ccccc2)o1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H17N3O4S/c23-15(13-6-7-16-17(10-13)25-9-8-24-16)12-27-19-22-21-18(26-19)11-20-14-4-2-1-3-5-14/h1-7,10,20H,8-9,11-12H2
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n/an/an/an/a 2.09E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 6.08E+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/Q2M32T6M
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 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)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


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



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 5.32E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM43925
PNG
(3-methyl-7-(2-methylprop-2-enyl)-8-[4-(phenylmethy...)
Show SMILES CC(=C)Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27N5O2/c1-15(2)14-27-18-19(25(3)22(29)24-20(18)28)23-21(27)26-11-9-17(10-12-26)13-16-7-5-4-6-8-16/h4-8,17H,1,9-14H2,2-3H3,(H,24,28,29)
PDB

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n/an/an/an/a 1.58E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 4.35E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 6.16E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 5.59E+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/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM47515
PNG
(3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbo...)
Show SMILES CC(N(Cc1ccco1)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H28N4O3S/c1-16-20-14-21(33-24(20)29(27-16)18-10-7-6-8-11-18)23(31)28(15-19-12-9-13-32-19)17(2)22(30)26-25(3,4)5/h6-14,17H,15H2,1-5H3,(H,26,30)
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n/an/an/an/a 3.32E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 3.74E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 9.24E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM43930
PNG
(3-(4-Benzotriazol-1-yl-piperidine-1-sulfonyl)-N-cy...)
Show SMILES O=S(=O)(NC1CCCC1)c1cccc(c1)S(=O)(=O)N1CCC(CC1)n1nnc2ccccc12
Show InChI InChI=1S/C22H27N5O4S2/c28-32(29,24-17-6-1-2-7-17)19-8-5-9-20(16-19)33(30,31)26-14-12-18(13-15-26)27-22-11-4-3-10-21(22)23-25-27/h3-5,8-11,16-18,24H,1-2,6-7,12-15H2
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n/an/an/an/a 4.05E+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/Q2M32T6M
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 3.25E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM43868
PNG
(3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...)
Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)|
Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
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n/an/an/an/a 1.81E+5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 4.25E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 1.80E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 1.15E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM47516
PNG
(2-(cyclohexylthio)-3-methoxy-4-quinazolinone | 2-(...)
Show SMILES COn1c(SC2CCCCC2)nc2ccccc2c1=O
Show InChI InChI=1S/C15H18N2O2S/c1-19-17-14(18)12-9-5-6-10-13(12)16-15(17)20-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
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n/an/an/an/a 8.26E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 2.19E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 1.20E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM47517
PNG
(2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydro-6H...)
Show SMILES Cc1nc(nc2CCCC(=O)c12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24N4O/c1-15-19-17(8-5-9-18(19)25)22-20(21-15)24-12-10-23(11-13-24)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3
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n/an/an/an/a 8.64E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM43937
PNG
(3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]...)
Show SMILES CC1(CCc2ccccc2)NC(=O)N(Cc2nnc(o2)-c2ccccc2Br)C1=O
Show InChI InChI=1S/C21H19BrN4O3/c1-21(12-11-14-7-3-2-4-8-14)19(27)26(20(28)23-21)13-17-24-25-18(29-17)15-9-5-6-10-16(15)22/h2-10H,11-13H2,1H3,(H,23,28)
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n/an/an/an/a 6.01E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 1.42E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 733n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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 2.65E+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/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM43942
PNG
(3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(...)
Show SMILES Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1C
Show InChI InChI=1S/C19H20N2O3S/c1-12-10-14(13(2)21(12)3)16(22)11-24-19(23)9-8-18-20-15-6-4-5-7-17(15)25-18/h4-7,10H,8-9,11H2,1-3H3
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n/an/an/an/a 1.94E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM43904
PNG
(2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-...)
Show SMILES Fc1ccc(cc1)-c1csc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)n1
Show InChI InChI=1S/C18H17FN4O3S/c19-12-5-3-11(4-6-12)13-10-27-16(20-13)21-14(24)9-23-15(25)18(22-17(23)26)7-1-2-8-18/h3-6,10H,1-2,7-9H2,(H,22,26)(H,20,21,24)
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n/an/an/an/a 156n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM44188
PNG
(2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]...)
Show SMILES Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)no1
Show InChI InChI=1S/C22H20N4O3S/c1-14-7-9-16(10-8-14)12-26-21(28)17-5-3-4-6-18(17)23-22(26)30-13-20(27)24-19-11-15(2)29-25-19/h3-11H,12-13H2,1-2H3,(H,24,25,27)
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n/an/an/an/a 6.51E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM44190
PNG
(4-chloranyl-N-[1-(4-fluorophenyl)-3,5-dimethyl-pyr...)
Show SMILES Cc1nn(c(C)c1NS(=O)(=O)c1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15ClFN3O2S/c1-11-17(21-25(23,24)16-9-3-13(18)4-10-16)12(2)22(20-11)15-7-5-14(19)6-8-15/h3-10,21H,1-2H3
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n/an/an/an/a 3.29E+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/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM43944
PNG
(1-(1-benzofuran-2-yl)-2-[(4-benzyl-5-cyclopropyl-1...)
Show SMILES O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H19N3O2S/c26-18(20-12-17-8-4-5-9-19(17)27-20)14-28-22-24-23-21(16-10-11-16)25(22)13-15-6-2-1-3-7-15/h1-9,12,16H,10-11,13-14H2
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n/an/an/an/a 3.85E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM43946
PNG
(1-phenyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfan...)
Show SMILES S(c1nnc([nH]1)-c1ccccc1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C19H13N7S/c1-3-7-13(8-4-1)16-23-19(25-24-16)27-18-15-11-22-26(17(15)20-12-21-18)14-9-5-2-6-10-14/h1-12H,(H,23,24,25)
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n/an/an/an/a 6.74E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(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


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


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



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM41112
PNG
(MLS000092324 | N-(2,3-dimethylphenyl)-2-[(3,5-dime...)
Show SMILES COc1ccc(cc1)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C22H26N4O4S/c1-14-7-6-8-20(15(14)2)23-21(27)13-26(18-9-11-19(30-5)12-10-18)31(28,29)22-16(3)24-25-17(22)4/h6-12H,13H2,1-5H3,(H,23,27)(H,24,25)
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n/an/an/an/a 3.86E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM43950
PNG
(8-{[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-y...)
Show SMILES Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C20H24BrN3O3S/c21-15-1-2-16-17(13-15)28-19(22-16)24-7-3-14(4-8-24)18(25)23-9-5-20(6-10-23)26-11-12-27-20/h1-2,13-14H,3-12H2
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n/an/an/an/a 5.25E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


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

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
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