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There are 46 purchasable compounds for target: High-affinity choline transporter

Wt: 376.4
BDBM38882
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Wt: 452.5
BDBM39693
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Wt: 387.2
BDBM42511
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Wt: 442.5
BDBM51919
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Wt: 428.5
BDBM55415
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Wt: 445.8
BDBM66443
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Wt: 376.9
BDBM79705
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Wt: 336.4
BDBM83397
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Wt: 415.5
BDBM87569
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Wt: 473.3
BDBM87570
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Wt: 422.2
BDBM87573
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Wt: 472.3
BDBM87579
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Wt: 386.5
BDBM87580
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Wt: 295.3
BDBM89147
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Wt: 477.4
BDBM89149
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Displayed 1 to 15 (of 46 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 38882,39693,42511,51919,55415,66443,79705,83397,87569,87570,87573,87579,87580,89147,89149   
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
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87569
PNG
(MLS000733239 | N-(1-phenylethyl)-4-[1-(pyridin-2-y...)
Show SMILES CC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1ccccc1
Show InChI InChI=1S/C26H29N3O2/c1-20(21-7-3-2-4-8-21)28-26(30)22-10-12-24(13-11-22)31-25-14-17-29(18-15-25)19-23-9-5-6-16-27-23/h2-13,16,20,25H,14-15,17-19H2,1H3,(H,28,30)
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n/an/a 1.79E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.08.011
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87569
PNG
(MLS000733239 | N-(1-phenylethyl)-4-[1-(pyridin-2-y...)
Show SMILES CC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1ccccc1
Show InChI InChI=1S/C26H29N3O2/c1-20(21-7-3-2-4-8-21)28-26(30)22-10-12-24(13-11-22)31-25-14-17-29(18-15-25)19-23-9-5-6-16-27-23/h2-13,16,20,25H,14-15,17-19H2,1H3,(H,28,30)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells by membrane depolarization assay


Bioorg Med Chem Lett 25: 1757-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.058
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87573
PNG
(2,4-Dichloro-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(Cl)c1
Show InChI InChI=1S/C18H13Cl2N3O3S/c19-12-4-9-15(16(20)11-12)18(24)22-13-5-7-14(8-6-13)27(25,26)23-17-3-1-2-10-21-17/h1-11H,(H,21,23)(H,22,24)
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n/an/a 1.28E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.08.011
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87579
PNG
(MLS001239889 | N-(4-{[(2,6-dimethyl-4-pyrimidinyl)...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)nc(C)n1
Show InChI InChI=1S/C19H13F5N4O3S/c1-8-7-12(26-9(2)25-8)28-32(30,31)11-5-3-10(4-6-11)27-19(29)13-14(20)16(22)18(24)17(23)15(13)21/h3-7H,1-2H3,(H,27,29)(H,25,26,28)
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n/an/a 447n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.08.011
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87580
PNG
(3-(benzylsulfamoyl)-N-(4-methylcyclohexyl)benzamid...)
Show SMILES CC1CCC(CC1)NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccccc1 |(3.08,-8.09,;4.41,-7.32,;4.41,-5.78,;5.75,-5.01,;7.08,-5.78,;7.08,-7.32,;5.75,-8.09,;8.41,-5.01,;8.41,-3.47,;7.08,-2.7,;9.75,-2.7,;11.08,-3.47,;12.42,-2.7,;12.42,-1.16,;11.08,-.39,;9.75,-1.16,;11.08,1.16,;12.62,1.16,;9.54,1.16,;11.08,2.7,;12.42,3.47,;12.42,5.01,;11.08,5.78,;11.08,7.32,;12.42,8.09,;13.75,7.32,;13.75,5.78,)|
Show InChI InChI=1S/C21H26N2O3S/c1-16-10-12-19(13-11-16)23-21(24)18-8-5-9-20(14-18)27(25,26)22-15-17-6-3-2-4-7-17/h2-9,14,16,19,22H,10-13,15H2,1H3,(H,23,24)
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n/an/a 8.42E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.08.011
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM38882
PNG
(MLS000079343 | N-(2,5-dimethoxyphenyl)-4-(2-ketopy...)
Show SMILES COc1ccc(OC)c(NS(=O)(=O)c2ccc(cc2)N2CCCC2=O)c1
Show InChI InChI=1S/C18H20N2O5S/c1-24-14-7-10-17(25-2)16(12-14)19-26(22,23)15-8-5-13(6-9-15)20-11-3-4-18(20)21/h5-10,12,19H,3-4,11H2,1-2H3
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n/an/an/an/a 2.22E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM39693
PNG
(1-[2-(diethylamino)ethyl]-N-[[1-(phenylmethyl)-2-b...)
Show SMILES CCN(CC)CCn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C28H32N6/c1-3-32(4-2)18-19-33-25-16-10-9-15-24(25)31-28(33)29-20-27-30-23-14-8-11-17-26(23)34(27)21-22-12-6-5-7-13-22/h5-17H,3-4,18-21H2,1-2H3,(H,29,31)
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n/an/an/an/a 1.14E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM55415
PNG
(MLS000519756 | N-cyclohexyl-1-[2-furanylmethyl-(1-...)
Show SMILES O=C(Cc1cccs1)N(Cc1ccco1)C1(CCCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H32N2O3S/c27-22(17-21-12-8-16-30-21)26(18-20-11-7-15-29-20)24(13-5-2-6-14-24)23(28)25-19-9-3-1-4-10-19/h7-8,11-12,15-16,19H,1-6,9-10,13-14,17-18H2,(H,25,28)
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n/an/an/an/a 2.42E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM42511
PNG
((6-Bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)-acet...)
Show SMILES CCC1=Nc2ccc(Br)cc2C(N1CC(=O)OC)c1ccccc1 |t:2|
Show InChI InChI=1S/C19H19BrN2O2/c1-3-17-21-16-10-9-14(20)11-15(16)19(13-7-5-4-6-8-13)22(17)12-18(23)24-2/h4-11,19H,3,12H2,1-2H3
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n/an/an/an/a 1.43E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM66443
PNG
(1-(4-Chloro-benzoyl)-1-ethyl-2-oxo-1,7b-dihydro-cy...)
Show SMILES CCC1(C2c3ccccc3OC(=O)C12C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20ClNO4/c1-2-25(22(29)16-12-14-17(27)15-13-16)21-19-10-6-7-11-20(19)32-24(31)26(21,25)23(30)28-18-8-4-3-5-9-18/h3-15,21H,2H2,1H3,(H,28,30)
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n/an/an/an/a 8.44E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89147
PNG
(1-Ethyl-6-methyl-2-(2-oxo-2-p-tolyl-ethyl)-3,4-dih...)
Show SMILES CCC1=[N+](CC(=O)c2ccc(C)cc2)CCn2c(C)ccc12 |c:2|
Show InChI InChI=1S/C19H23N2O/c1-4-17-18-10-7-15(3)21(18)12-11-20(17)13-19(22)16-8-5-14(2)6-9-16/h5-10H,4,11-13H2,1-3H3/q+1
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n/an/an/an/a 1.31E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89149
PNG
(3-chloranyl-N-[3-[4-[3-[(3-chlorophenyl)carbonylam...)
Show SMILES Clc1cccc(c1)C(=O)NCCCN1CCN(CCCNC(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C24H30Cl2N4O2/c25-21-7-1-5-19(17-21)23(31)27-9-3-11-29-13-15-30(16-14-29)12-4-10-28-24(32)20-6-2-8-22(26)18-20/h1-2,5-8,17-18H,3-4,9-16H2,(H,27,31)(H,28,32)
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n/an/an/an/a 9.44E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM79705
PNG
(2-(4-{[1-(5-chloropyridin-2-yl)-1H-pyrrol-2-yl]met...)
Show SMILES CC(C)CN1CCN(Cc2cccn2-c2ccc(Cl)cn2)CC1CCO
Show InChI InChI=1S/C20H29ClN4O/c1-16(2)13-24-10-9-23(14-18(24)7-11-26)15-19-4-3-8-25(19)20-6-5-17(21)12-22-20/h3-6,8,12,16,18,26H,7,9-11,13-15H2,1-2H3
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n/an/an/an/a 8.24E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM83397
PNG
(2-(2,4-dimethoxy-3-methyl-benzyl)-1,3,4,9-tetrahyd...)
Show SMILES COc1ccc(CN2CCc3c(C2)[nH]c2ccccc32)c(OC)c1C
Show InChI InChI=1S/C21H24N2O2/c1-14-20(24-2)9-8-15(21(14)25-3)12-23-11-10-17-16-6-4-5-7-18(16)22-19(17)13-23/h4-9,22H,10-13H2,1-3H3
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n/an/an/an/a 8.40E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM51919
PNG
(1-(2-methylphenoxy)-3-[[4-[[3-(2-methylphenoxy)-2-...)
Show SMILES Cc1ccccc1OCC(O)CNC1CCC(CC1)NCC(O)COc1ccccc1C |(4.41,-6.16,;4.41,-7.7,;3.08,-8.47,;3.08,-10.01,;4.41,-10.78,;5.75,-10.01,;5.75,-8.47,;7.08,-7.7,;7.08,-6.16,;8.41,-5.39,;9.75,-6.16,;8.41,-3.85,;9.75,-3.08,;9.75,-1.54,;8.41,-.77,;8.41,.77,;9.75,1.54,;11.08,.77,;11.08,-.77,;9.75,3.08,;11.08,3.85,;11.08,5.39,;9.75,6.16,;12.42,6.16,;12.42,7.7,;13.75,8.47,;13.75,10.01,;15.08,10.78,;16.42,10.01,;16.42,8.47,;15.08,7.7,;15.08,6.16,)|
Show InChI InChI=1S/C26H38N2O4/c1-19-7-3-5-9-25(19)31-17-23(29)15-27-21-11-13-22(14-12-21)28-16-24(30)18-32-26-10-6-4-8-20(26)2/h3-10,21-24,27-30H,11-18H2,1-2H3
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n/an/an/an/a 1.93E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM87570
PNG
(2,4-bis(chloranyl)-N-[4-(quinoxalin-2-ylsulfamoyl)...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cnc3ccccc3n2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl2N4O3S/c22-13-5-10-16(17(23)11-13)21(28)25-14-6-8-15(9-7-14)31(29,30)27-20-12-24-18-3-1-2-4-19(18)26-20/h1-12H,(H,25,28)(H,26,27)
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n/an/a 2.82E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.08.011
More data for this
Ligand-Target Pair