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Found 109 hits Enz. Inhib. hit(s) with Target = 'High-affinity choline transporter' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High-affinity choline transporter


(Homo sapiens)
BDBM50326219
PNG
(4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...)
Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human choline transporter (CHT1) by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)

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


(Homo sapiens)
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human choline transporter (CHT1) by radioligand displacement assay


J Med Chem 53: 6386-97 (2010)

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


(Homo sapiens)
BDBM87576
PNG
(MLS001100779 | N-[(3-ethyl-1,2-oxazol-5-yl)methyl]...)
Show SMILES CCc1cc(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)on1
Show InChI InChI=1S/C22H31N3O4/c1-5-17-13-19(29-24-17)14-23-22(26)16-6-7-20(27-4)21(12-16)28-18-8-10-25(11-9-18)15(2)3/h6-7,12-13,15,18H,5,8-11,14H2,1-4H3,(H,23,26)
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n/an/a 18.9n/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)

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


(Homo sapiens)
BDBM50067207
PNG
(CHEMBL3304438)
Show SMILES COc1ccc(cc1OC1CCN(C)CC1)C(=O)NCc1cc(no1)C(C)C
Show InChI InChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25)
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n/an/a 90n/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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
BDBM50067202
PNG
(CHEMBL1872483)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C
Show InChI InChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27)
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n/an/a 100n/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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
BDBM50067202
PNG
(CHEMBL1872483)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C
Show InChI InChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27)
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n/an/a 240n/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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
BDBM50067207
PNG
(CHEMBL3304438)
Show SMILES COc1ccc(cc1OC1CCN(C)CC1)C(=O)NCc1cc(no1)C(C)C
Show InChI InChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25)
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n/an/a 270n/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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
BDBM87575
PNG
(MLS001126544 | N-[(4,5-dimethyl-1,3-thiazol-2-yl)m...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)c(C)s1
Show InChI InChI=1S/C22H31N3O3S/c1-14(2)25-10-8-18(9-11-25)28-20-12-17(6-7-19(20)27-5)22(26)23-13-21-24-15(3)16(4)29-21/h6-7,12,14,18H,8-11,13H2,1-5H3,(H,23,26)
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n/an/a 303n/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)

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


(Homo sapiens)
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)

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


(Homo sapiens)
BDBM50067209
PNG
(CHEMBL3303792)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)C(=O)NCc1cc(no1)C(C)C
Show InChI InChI=1S/C22H31N3O4/c1-16(2)19-14-18(29-24-19)15-23-22(26)17-7-8-20(27-3)21(13-17)28-12-11-25-9-5-4-6-10-25/h7-8,13-14,16H,4-6,9-12,15H2,1-3H3,(H,23,26)
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n/an/a 530n/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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
BDBM87576
PNG
(MLS001100779 | N-[(3-ethyl-1,2-oxazol-5-yl)methyl]...)
Show SMILES CCc1cc(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)on1
Show InChI InChI=1S/C22H31N3O4/c1-5-17-13-19(29-24-17)14-23-22(26)16-6-7-20(27-4)21(12-16)28-18-8-10-25(11-9-18)15(2)3/h6-7,12-13,15,18H,5,8-11,14H2,1-4H3,(H,23,26)
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n/an/a 600n/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)

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


(Homo sapiens)
BDBM50067209
PNG
(CHEMBL3303792)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)C(=O)NCc1cc(no1)C(C)C
Show InChI InChI=1S/C22H31N3O4/c1-16(2)19-14-18(29-24-19)15-23-22(26)17-7-8-20(27-3)21(13-17)28-12-11-25-9-5-4-6-10-25/h7-8,13-14,16H,4-6,9-12,15H2,1-3H3,(H,23,26)
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n/an/a 760n/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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
BDBM87575
PNG
(MLS001126544 | N-[(4,5-dimethyl-1,3-thiazol-2-yl)m...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)c(C)s1
Show InChI InChI=1S/C22H31N3O3S/c1-14(2)25-10-8-18(9-11-25)28-20-12-17(6-7-19(20)27-5)22(26)23-13-21-24-15(3)16(4)29-21/h6-7,12,14,18H,8-11,13H2,1-5H3,(H,23,26)
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n/an/a 760n/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)

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


(Homo sapiens)
BDBM87581
PNG
(2,4-bis(chloranyl)-N-[4-(3,4,5,6-tetrahydro-2H-aze...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)NC2=NCCCCC2)c(Cl)c1
Show InChI InChI=1S/C19H19Cl2N3O3S/c20-13-5-10-16(17(21)12-13)19(25)23-14-6-8-15(9-7-14)28(26,27)24-18-4-2-1-3-11-22-18/h5-10,12H,1-4,11H2,(H,22,24)(H,23,25)
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n/an/a 864n/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)

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


(Homo sapiens)
BDBM50067203
PNG
(CHEMBL3182315)
Show SMILES CCn1nc(C)c(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)c1C
Show InChI InChI=1S/C24H36N4O3/c1-7-28-18(5)21(17(4)26-28)15-25-24(29)19-8-9-22(30-6)23(14-19)31-20-10-12-27(13-11-20)16(2)3/h8-9,14,16,20H,7,10-13,15H2,1-6H3,(H,25,29)
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n/an/a 910n/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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
BDBM50067199
PNG
(CHEMBL3187862)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)cs1
Show InChI InChI=1S/C21H29N3O3S/c1-14(2)24-9-7-17(8-10-24)27-19-11-16(5-6-18(19)26-4)21(25)22-12-20-23-15(3)13-28-20/h5-6,11,13-14,17H,7-10,12H2,1-4H3,(H,22,25)
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n/an/a 1.02E+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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
BDBM50067208
PNG
(CHEMBL3303292)
Show SMILES COc1ccc(cc1OC1CCCN(C)C1)C(=O)NCc1cc(no1)C(C)C
Show InChI InChI=1S/C21H29N3O4/c1-14(2)18-11-17(28-23-18)12-22-21(25)15-7-8-19(26-4)20(10-15)27-16-6-5-9-24(3)13-16/h7-8,10-11,14,16H,5-6,9,12-13H2,1-4H3,(H,22,25)
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n/an/a 1.25E+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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
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)

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


(Homo sapiens)
BDBM50067205
PNG
(CHEMBL3183447)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C22H35N3O3/c1-17(2)25-13-8-19(9-14-25)28-21-16-18(6-7-20(21)27-3)22(26)23-10-15-24-11-4-5-12-24/h6-7,16-17,19H,4-5,8-15H2,1-3H3,(H,23,26)
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n/an/a 1.56E+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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
BDBM50067203
PNG
(CHEMBL3182315)
Show SMILES CCn1nc(C)c(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)c1C
Show InChI InChI=1S/C24H36N4O3/c1-7-28-18(5)21(17(4)26-28)15-25-24(29)19-8-9-22(30-6)23(14-19)31-20-10-12-27(13-11-20)16(2)3/h8-9,14,16,20H,7,10-13,15H2,1-6H3,(H,25,29)
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n/an/a 1.58E+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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
BDBM50067200
PNG
(CHEMBL3187348)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1csc(C)n1
Show InChI InChI=1S/C21H29N3O3S/c1-14(2)24-9-7-18(8-10-24)27-20-11-16(5-6-19(20)26-4)21(25)22-12-17-13-28-15(3)23-17/h5-6,11,13-14,18H,7-10,12H2,1-4H3,(H,22,25)
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n/an/a 1.64E+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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
BDBM50067206
PNG
(CHEMBL3188567)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1ccccn1
Show InChI InChI=1S/C24H33N3O3/c1-17(2)27-13-10-21(11-14-27)30-23-16-19(8-9-22(23)29-4)24(28)26-18(3)15-20-7-5-6-12-25-20/h5-9,12,16-18,21H,10-11,13-15H2,1-4H3,(H,26,28)
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n/an/a 1.73E+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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
BDBM50067210
PNG
(CHEMBL3303803)
Show SMILES COc1ccc(cc1OCCN1CCOCC1)C(=O)NCc1cc(no1)C(C)C
Show InChI InChI=1S/C21H29N3O5/c1-15(2)18-13-17(29-23-18)14-22-21(25)16-4-5-19(26-3)20(12-16)28-11-8-24-6-9-27-10-7-24/h4-5,12-13,15H,6-11,14H2,1-3H3,(H,22,25)
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n/an/a 1.77E+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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
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)

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


(Homo sapiens)
BDBM50067204
PNG
(CHEMBL3183383)
Show SMILES CCn1cc(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)cn1
Show InChI InChI=1S/C22H32N4O3/c1-5-26-15-17(14-24-26)13-23-22(27)18-6-7-20(28-4)21(12-18)29-19-8-10-25(11-9-19)16(2)3/h6-7,12,14-16,19H,5,8-11,13H2,1-4H3,(H,23,27)
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n/an/a 1.85E+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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
BDBM87572
PNG
(MLS001122453 | N-(2,3-dihydro-1H-inden-1-yl)-4-met...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C25H32N2O3/c1-17(2)27-14-12-20(13-15-27)30-24-16-19(9-11-23(24)29-3)25(28)26-22-10-8-18-6-4-5-7-21(18)22/h4-7,9,11,16-17,20,22H,8,10,12-15H2,1-3H3,(H,26,28)
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n/an/a 2.12E+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)

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


(Homo sapiens)
BDBM50067205
PNG
(CHEMBL3183447)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C22H35N3O3/c1-17(2)25-13-8-19(9-14-25)28-21-16-18(6-7-20(21)27-3)22(26)23-10-15-24-11-4-5-12-24/h6-7,16-17,19H,4-5,8-15H2,1-3H3,(H,23,26)
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n/an/a 2.13E+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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
BDBM50067201
PNG
(CHEMBL3186365)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(C)n(C)n1
Show InChI InChI=1S/C22H32N4O3/c1-15(2)26-10-8-19(9-11-26)29-21-13-17(6-7-20(21)28-5)22(27)23-14-18-12-16(3)25(4)24-18/h6-7,12-13,15,19H,8-11,14H2,1-5H3,(H,23,27)
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n/an/a 2.51E+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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
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)

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


(Homo sapiens)
BDBM87574
PNG
(MLS001082585 | N-[2-(1-cyclohexenyl)ethyl]-4-metho...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCCC1=CCCCC1
Show InChI InChI=1S/C24H36N2O3/c1-18(2)26-15-12-21(13-16-26)29-23-17-20(9-10-22(23)28-3)24(27)25-14-11-19-7-5-4-6-8-19/h7,9-10,17-18,21H,4-6,8,11-16H2,1-3H3,(H,25,27)
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n/an/a 3.16E+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)

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


(Homo sapiens)
BDBM50400797
PNG
(CHEMBL2203622)
Show SMILES Cn1c2OCC\C=C/CCCCOc3ccccc3-c1cn2
Show InChI InChI=1S/C18H22N2O2/c1-20-16-14-19-18(20)22-13-9-5-3-2-4-8-12-21-17-11-7-6-10-15(16)17/h3,5-7,10-11,14H,2,4,8-9,12-13H2,1H3/b5-3-
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universite£ de Sherbrooke

Curated by ChEMBL


Assay Description
Antagonist activity at CHT1


J Med Chem 54: 1961-2004 (2011)

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


(Homo sapiens)
BDBM87572
PNG
(MLS001122453 | N-(2,3-dihydro-1H-inden-1-yl)-4-met...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C25H32N2O3/c1-17(2)27-14-12-20(13-15-27)30-24-16-19(9-11-23(24)29-3)25(28)26-22-10-8-18-6-4-5-7-21(18)22/h4-7,9,11,16-17,20,22H,8,10,12-15H2,1-3H3,(H,26,28)
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n/an/a 3.36E+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)

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


(Homo sapiens)
BDBM50067199
PNG
(CHEMBL3187862)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)cs1
Show InChI InChI=1S/C21H29N3O3S/c1-14(2)24-9-7-17(8-10-24)27-19-11-16(5-6-18(19)26-4)21(25)22-12-20-23-15(3)13-28-20/h5-6,11,13-14,17H,7-10,12H2,1-4H3,(H,22,25)
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n/an/a 3.48E+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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
BDBM87578
PNG
(MLS001101393 | N-(2-phenylethyl)-3-(1-propylpiperi...)
Show SMILES CCCN1CCC(CC1)Oc1cccc(c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-2-15-25-16-12-21(13-17-25)27-22-10-6-9-20(18-22)23(26)24-14-11-19-7-4-3-5-8-19/h3-10,18,21H,2,11-17H2,1H3,(H,24,26)
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n/an/a 3.76E+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)

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


(Homo sapiens)
BDBM95194
PNG
(2-chloranyl-4-nitro-N-[4-(pyridin-2-ylsulfamoyl)ph...)
Show SMILES [O-][N+](=O)c1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(Cl)c1
Show InChI InChI=1S/C18H13ClN4O5S/c19-16-11-13(23(25)26)6-9-15(16)18(24)21-12-4-7-14(8-5-12)29(27,28)22-17-3-1-2-10-20-17/h1-11H,(H,20,22)(H,21,24)
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n/an/a 3.85E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

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


(Homo sapiens)
BDBM50067206
PNG
(CHEMBL3188567)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1ccccn1
Show InChI InChI=1S/C24H33N3O3/c1-17(2)27-13-10-21(11-14-27)30-23-16-19(8-9-22(23)29-4)24(28)26-18(3)15-20-7-5-6-12-25-20/h5-9,12,16-18,21H,10-11,13-15H2,1-4H3,(H,26,28)
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n/an/a 4.12E+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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
BDBM87578
PNG
(MLS001101393 | N-(2-phenylethyl)-3-(1-propylpiperi...)
Show SMILES CCCN1CCC(CC1)Oc1cccc(c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-2-15-25-16-12-21(13-17-25)27-22-10-6-9-20(18-22)23(26)24-14-11-19-7-4-3-5-8-19/h3-10,18,21H,2,11-17H2,1H3,(H,24,26)
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n/an/a 4.22E+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)

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


(Homo sapiens)
BDBM87577
PNG
(3-[(1-isopropyl-4-piperidyl)oxy]-4-methoxy-N-(1-me...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1cnccn1
Show InChI InChI=1S/C23H32N4O3/c1-16(2)27-11-7-20(8-12-27)30-22-14-18(5-6-21(22)29-4)23(28)26-17(3)13-19-15-24-9-10-25-19/h5-6,9-10,14-17,20H,7-8,11-13H2,1-4H3,(H,26,28)
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n/an/a 4.47E+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)

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


(Homo sapiens)
BDBM50067208
PNG
(CHEMBL3303292)
Show SMILES COc1ccc(cc1OC1CCCN(C)C1)C(=O)NCc1cc(no1)C(C)C
Show InChI InChI=1S/C21H29N3O4/c1-14(2)18-11-17(28-23-18)12-22-21(25)15-7-8-19(26-4)20(10-15)27-16-6-5-9-24(3)13-16/h7-8,10-11,14,16H,5-6,9,12-13H2,1-4H3,(H,22,25)
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n/an/a 4.54E+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 assessed as remaining transporter activity in presence of 10 uM [3H]...


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

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


(Homo sapiens)
BDBM87060
PNG
(Lignan, 4 | MLS001138823 | N-(4-methylcyclohexyl)-...)
Show SMILES CC1CCC(CC1)NC(=O)c1cccc(c1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C19H29N3O3S/c1-15-6-8-17(9-7-15)20-19(23)16-4-3-5-18(14-16)26(24,25)22-12-10-21(2)11-13-22/h3-5,14-15,17H,6-13H2,1-2H3,(H,20,23)
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n/an/a 4.68E+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)

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


(Homo sapiens)
BDBM50067200
PNG
(CHEMBL3187348)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1csc(C)n1
Show InChI InChI=1S/C21H29N3O3S/c1-14(2)24-9-7-18(8-10-24)27-20-11-16(5-6-19(20)26-4)21(25)22-12-17-13-28-15(3)23-17/h5-6,11,13-14,18H,7-10,12H2,1-4H3,(H,22,25)
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n/an/a 4.93E+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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
BDBM50067210
PNG
(CHEMBL3303803)
Show SMILES COc1ccc(cc1OCCN1CCOCC1)C(=O)NCc1cc(no1)C(C)C
Show InChI InChI=1S/C21H29N3O5/c1-15(2)18-13-17(29-23-18)14-22-21(25)16-4-5-19(26-3)20(12-16)28-11-8-24-6-9-27-10-7-24/h4-5,12-13,15H,6-11,14H2,1-3H3,(H,22,25)
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n/an/a 6.12E+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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
BDBM87577
PNG
(3-[(1-isopropyl-4-piperidyl)oxy]-4-methoxy-N-(1-me...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1cnccn1
Show InChI InChI=1S/C23H32N4O3/c1-16(2)27-11-7-20(8-12-27)30-22-14-18(5-6-21(22)29-4)23(28)26-17(3)13-19-15-24-9-10-25-19/h5-6,9-10,14-17,20H,7-8,11-13H2,1-4H3,(H,26,28)
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n/an/a 7.51E+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)

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


(Homo sapiens)
BDBM50067201
PNG
(CHEMBL3186365)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(C)n(C)n1
Show InChI InChI=1S/C22H32N4O3/c1-15(2)26-10-8-19(9-11-26)29-21-13-17(6-7-20(21)28-5)22(27)23-14-18-12-16(3)25(4)24-18/h6-7,12-13,15,19H,8-11,14H2,1-5H3,(H,23,27)
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n/an/a 8.09E+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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
BDBM87580
PNG
(3-(benzylsulfamoyl)-N-(4-methylcyclohexyl)benzamid...)
Show SMILES CC1CCC(CC1)NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccccc1
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)

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


(Homo sapiens)
BDBM87571
PNG
(MLS001100712 | N-cyclohexyl-4-[1-(pyridin-2-ylmeth...)
Show SMILES O=C(NC1CCCCC1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
Show InChI InChI=1S/C24H31N3O2/c28-24(26-20-6-2-1-3-7-20)19-9-11-22(12-10-19)29-23-13-16-27(17-14-23)18-21-8-4-5-15-25-21/h4-5,8-12,15,20,23H,1-3,6-7,13-14,16-18H2,(H,26,28)
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n/an/a 8.43E+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)

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


(Homo sapiens)
BDBM50067204
PNG
(CHEMBL3183383)
Show SMILES CCn1cc(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)cn1
Show InChI InChI=1S/C22H32N4O3/c1-5-26-15-17(14-24-26)13-23-22(27)18-6-7-20(28-4)21(12-18)29-19-8-10-25(11-9-19)16(2)3/h6-7,12,14-16,19H,5,8-11,13H2,1-4H3,(H,23,27)
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n/an/a 9.27E+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 assessed as remaining transporter activity in presence of 100 nM [3H...


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

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


(Homo sapiens)
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)

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


(Homo sapiens)
BDBM87574
PNG
(MLS001082585 | N-[2-(1-cyclohexenyl)ethyl]-4-metho...)
Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCCC1=CCCCC1
Show InChI InChI=1S/C24H36N2O3/c1-18(2)26-15-12-21(13-16-26)29-23-17-20(9-10-22(23)28-3)24(27)25-14-11-19-7-5-4-6-8-19/h7,9-10,17-18,21H,4-6,8,11-16H2,1-3H3,(H,25,27)
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n/an/a 1.60E+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)

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


(Homo sapiens)
BDBM89138
PNG
(4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-y...)
Show SMILES COC(=O)CCC(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C14H16N2O3S/c1-19-13(18)7-6-12(17)16-14-10(8-15)9-4-2-3-5-11(9)20-14/h2-7H2,1H3,(H,16,17)
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n/an/an/an/a 1.40E+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
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