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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 5582   
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
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89137
PNG
(2-furfuryl-(2-piperidinoquinazolin-4-yl)amine;hydr...)
Show SMILES C(Nc1nc(nc2ccccc12)N1CCCCC1)c1ccco1
Show InChI InChI=1S/C18H20N4O/c1-4-10-22(11-5-1)18-20-16-9-3-2-8-15(16)17(21-18)19-13-14-7-6-12-23-14/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,19,20,21)
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n/an/an/an/a 1.79E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89177
PNG
(MLS001140154 | N-[2-keto-2-(2,3,4-trifluoroanilino...)
Show SMILES CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C24H17F3N4O2/c1-31(13-21(32)30-19-7-6-17(25)22(26)23(19)27)24(33)16-12-20(14-8-10-28-11-9-14)29-18-5-3-2-4-15(16)18/h2-12H,13H2,1H3,(H,30,32)
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n/an/an/an/a 1.46E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM38878
PNG
(2,7-bis(azanyl)-4-(3,4,5-trimethoxyphenyl)-4H-chro...)
Show SMILES COc1cc(cc(OC)c1OC)C1C(C#N)C(=N)Oc2cc(N)ccc12
Show InChI InChI=1S/C19H19N3O4/c1-23-15-6-10(7-16(24-2)18(15)25-3)17-12-5-4-11(21)8-14(12)26-19(22)13(17)9-20/h4-8,13,17,22H,21H2,1-3H3
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n/an/an/an/a 1.35E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM78579
PNG
(MLS000121357 | N-[1-(5-Bromo-2-pentyloxy-phenyl)-e...)
Show SMILES CCCCCOc1ccc(Br)cc1C(C)=NNC1=NCCN1 |w:15.16,t:18|
Show InChI InChI=1S/C16H23BrN4O/c1-3-4-5-10-22-15-7-6-13(17)11-14(15)12(2)20-21-16-18-8-9-19-16/h6-7,11H,3-5,8-10H2,1-2H3,(H2,18,19,21)
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n/an/an/an/a 1.48E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM77122
PNG
(1-[(1-tert-amyltetrazol-5-yl)-(3-pyridyl)methyl]-4...)
Show SMILES CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C23H28F3N7/c1-4-22(2,3)33-21(28-29-30-33)20(17-7-6-10-27-16-17)32-13-11-31(12-14-32)19-9-5-8-18(15-19)23(24,25)26/h5-10,15-16,20H,4,11-14H2,1-3H3
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n/an/an/an/a 1.60E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM77164
PNG
(1-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-1-(4-fluor...)
Show SMILES Fc1ccc(cc1)C(N(CC1CCCO1)Cc1ccco1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C23H28FN5O2/c24-18-11-9-17(10-12-18)22(23-25-26-27-29(23)19-5-1-2-6-19)28(15-20-7-3-13-30-20)16-21-8-4-14-31-21/h3,7,9-13,19,21-22H,1-2,4-6,8,14-16H2
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n/an/an/an/a 1.45E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89140
PNG
(2-[[4-(2-furfuryl)-5-(4-methoxyphenyl)-1,2,4-triaz...)
Show SMILES COc1ccc(cc1)-c1nnc(SC(C)C(=O)NCc2ccc3OCOc3c2)n1Cc1ccco1
Show InChI InChI=1S/C25H24N4O5S/c1-16(24(30)26-13-17-5-10-21-22(12-17)34-15-33-21)35-25-28-27-23(18-6-8-19(31-2)9-7-18)29(25)14-20-4-3-11-32-20/h3-12,16H,13-15H2,1-2H3,(H,26,30)
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n/an/an/an/a 2.43E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89141
PNG
(2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-1-...)
Show SMILES CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H24N2O3/c1-15(2)13-20(25-21(26)18-9-5-6-10-19(18)22(25)27)23(28)24-12-11-16-7-3-4-8-17(16)14-24/h3-10,15,20H,11-14H2,1-2H3
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n/an/an/an/a 2.24E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89142
PNG
((2-allyloxy-5-bromo-benzyl)-(3-morpholinopropyl)am...)
Show SMILES Brc1ccc(OCC=C)c(CNCCCN2CCOCC2)c1
Show InChI InChI=1S/C17H25BrN2O2/c1-2-10-22-17-5-4-16(18)13-15(17)14-19-6-3-7-20-8-11-21-12-9-20/h2,4-5,13,19H,1,3,6-12,14H2
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n/an/an/an/a 1.42E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89143
PNG
(MLS000581438 | N-[3-(2,2-dimethyl-4-oxanyl)-3-phen...)
Show SMILES CC(N(CCC(C1CCOC(C)(C)C1)c1ccccc1)C(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C29H35NO3/c1-22(23-11-6-4-7-12-23)30(28(31)27-15-10-19-32-27)18-16-26(24-13-8-5-9-14-24)25-17-20-33-29(2,3)21-25/h4-15,19,22,25-26H,16-18,20-21H2,1-3H3
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n/an/an/an/a 5.67E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89144
PNG
((E)-3-p-cumenyl-N-(3-phenylpropyl)acrylamide | (E)...)
Show SMILES CC(C)c1ccc(\C=C\C(=O)NCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H25NO/c1-17(2)20-13-10-19(11-14-20)12-15-21(23)22-16-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-15,17H,6,9,16H2,1-2H3,(H,22,23)/b15-12+
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n/an/an/an/a 7.73E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89145
PNG
(1-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl...)
Show SMILES Cc1cc(C=NNC(N)=S)c(C)n1-c1ccc(C)cc1 |w:5.5|
Show InChI InChI=1S/C15H18N4S/c1-10-4-6-14(7-5-10)19-11(2)8-13(12(19)3)9-17-18-15(16)20/h4-9H,1-3H3,(H3,16,18,20)
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n/an/an/an/a 9.06E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM70736
PNG
(2-Chloro-N-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-...)
Show SMILES Cc1nn(c(Cl)c1CN(C(=O)CCl)c1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H19Cl2N3O/c1-16-20(23(25)28(26-16)18-10-3-2-4-11-18)15-27(22(29)14-24)21-13-7-9-17-8-5-6-12-19(17)21/h2-13H,14-15H2,1H3
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n/an/an/an/a 1.67E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89146
PNG
(1-phenyl-2-p-phenetyl-6,7,8,9-tetrahydro-5H-imidaz...)
Show SMILES CCOc1ccc(cc1)-c1c[n+]2CCCCCc2n1-c1ccccc1
Show InChI InChI=1S/C22H25N2O/c1-2-25-20-14-12-18(13-15-20)21-17-23-16-8-4-7-11-22(23)24(21)19-9-5-3-6-10-19/h3,5-6,9-10,12-15,17H,2,4,7-8,11,16H2,1H3/q+1
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n/an/an/an/a 6.83E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89148
PNG
(4-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-diethyl-3...)
Show SMILES CCN(CC)S(=O)(=O)c1cnccc1N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H25ClN4O2S/c1-3-24(4-2)27(25,26)19-15-21-9-8-18(19)23-12-10-22(11-13-23)17-7-5-6-16(20)14-17/h5-9,14-15H,3-4,10-13H2,1-2H3
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n/an/an/an/a 2.47E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89150
PNG
(2-[(4E)-1-(3-chloranyl-4-methoxy-phenyl)-4-(furan-...)
Show SMILES COc1ccc(cc1Cl)N1C(SCC(=O)N(C(C)C)C(C)C)=N\C(=C\c2ccco2)C1=O |c:22|
Show InChI InChI=1S/C23H26ClN3O4S/c1-14(2)26(15(3)4)21(28)13-32-23-25-19(12-17-7-6-10-31-17)22(29)27(23)16-8-9-20(30-5)18(24)11-16/h6-12,14-15H,13H2,1-5H3/b19-12+
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n/an/an/an/a 1.76E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89151
PNG
(2-[2-(2-chlorophenyl)-1-benzimidazolyl]-N-(2-propa...)
Show SMILES CC(C)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H22ClN3O/c1-16(2)17-9-4-6-12-20(17)26-23(29)15-28-22-14-8-7-13-21(22)27-24(28)18-10-3-5-11-19(18)25/h3-14,16H,15H2,1-2H3,(H,26,29)
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n/an/an/an/a 1.83E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89152
PNG
(MLS000662777 | N-[bis(2-methylpropoxy)phosphoryl-(...)
Show SMILES CC(C)COP(=O)(OCC(C)C)C(Nc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H29FNO3P/c1-16(2)14-25-27(24,26-15-17(3)4)21(18-10-12-19(22)13-11-18)23-20-8-6-5-7-9-20/h5-13,16-17,21,23H,14-15H2,1-4H3
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n/an/an/an/a 1.22E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89153
PNG
(4-[(E,4R)-1-(benzyloxycarbonylamino)-5-keto-2,4-di...)
Show SMILES COC(=O)c1ccc(cc1)C(NC(=O)OCc1ccccc1)C(\C)=C\[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C32H36N2O7/c1-21(17-22(2)30(35)33-19-24-11-16-27(38-3)28(18-24)39-4)29(25-12-14-26(15-13-25)31(36)40-5)34-32(37)41-20-23-9-7-6-8-10-23/h6-18,22,29H,19-20H2,1-5H3,(H,33,35)(H,34,37)/b21-17+/t22-,29?/m1/s1
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n/an/an/an/a 1.23E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89154
PNG
(1-[2-azanylidene-3-[2-(diethylamino)ethyl]benzimid...)
Show SMILES CCN(CC)CCn1c2ccccc2n(CC(O)COc2cccc(C)c2)c1=N
Show InChI InChI=1S/C23H32N4O2/c1-4-25(5-2)13-14-26-21-11-6-7-12-22(21)27(23(26)24)16-19(28)17-29-20-10-8-9-18(3)15-20/h6-12,15,19,24,28H,4-5,13-14,16-17H2,1-3H3
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n/an/an/an/a 1.25E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89155
PNG
(4-(isoxazol-3-ylcarbamoylamino)benzoic acid ethyl ...)
Show SMILES CCOC(=O)c1ccc(NC(=O)Nc2ccon2)cc1
Show InChI InChI=1S/C13H13N3O4/c1-2-19-12(17)9-3-5-10(6-4-9)14-13(18)15-11-7-8-20-16-11/h3-8H,2H2,1H3,(H2,14,15,16,18)
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n/an/an/an/a 8.42E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89156
PNG
((3aS,5S,9aS)-2-(3-chlorobenzyl)-5-(1-pyridin-2-yl-...)
Show SMILES Clc1cccc(CN2C[C@@H]3C[C@H](N4CCC[C@@]34C2=O)c2cccn2-c2ccccn2)c1
Show InChI InChI=1S/C25H25ClN4O/c26-20-7-3-6-18(14-20)16-28-17-19-15-22(30-13-5-10-25(19,30)24(28)31)21-8-4-12-29(21)23-9-1-2-11-27-23/h1-4,6-9,11-12,14,19,22H,5,10,13,15-17H2/t19-,22-,25-/m0/s1
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n/an/an/an/a 8.22E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89157
PNG
(MLS000731795 | SMR000317543 | [1-[(1-pyrimidin-2-y...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)C1CCCN(Cc2cccn2-c2ncccn2)C1
Show InChI InChI=1S/C22H21F3N4O/c23-22(24,25)18-7-1-5-16(13-18)20(30)17-6-2-11-28(14-17)15-19-8-3-12-29(19)21-26-9-4-10-27-21/h1,3-5,7-10,12-13,17H,2,6,11,14-15H2
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n/an/an/an/a 6.69E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89158
PNG
(4-cyano-2-fluoranyl-N-[2-[4-(2-methylpropanoyl)pip...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(cc1F)C#N
Show InChI InChI=1S/C22H23FN4O2/c1-15(2)22(29)27-11-9-26(10-12-27)20-6-4-3-5-19(20)25-21(28)17-8-7-16(14-24)13-18(17)23/h3-8,13,15H,9-12H2,1-2H3,(H,25,28)
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n/an/an/an/a 1.29E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89159
PNG
(4-(4-methoxyphenyl)sulfonyl-3-methyl-2,3-dihydro-1...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(C)COc2ccccc12
Show InChI InChI=1S/C16H17NO4S/c1-12-11-21-16-6-4-3-5-15(16)17(12)22(18,19)14-9-7-13(20-2)8-10-14/h3-10,12H,11H2,1-2H3
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n/an/an/an/a 1.39E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM78811
PNG
(3-cyclohexyl-N-[2-[(3S,6S)-6-[(4-methoxyphenyl)met...)
Show SMILES COc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1 |c:20|
Show InChI InChI=1S/C31H42N4O2/c1-37-29-15-12-26(13-16-29)21-28-23-35-27(20-25-10-6-3-7-11-25)22-33-31(35)34(28)19-18-32-30(36)17-14-24-8-4-2-5-9-24/h3,6-7,10-13,15-16,24,27-28H,2,4-5,8-9,14,17-23H2,1H3,(H,32,36)/t27-,28-/m0/s1
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n/an/an/an/a 2.20E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM78815
PNG
(3-cyclohexyl-N-[2-[(3S,6R)-6-[(4-hydroxyphenyl)met...)
Show SMILES Oc1ccc(C[C@@H]2CN3[C@@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1 |c:19|
Show InChI InChI=1S/C30H40N4O2/c35-28-14-11-25(12-15-28)20-27-22-34-26(19-24-9-5-2-6-10-24)21-32-30(34)33(27)18-17-31-29(36)16-13-23-7-3-1-4-8-23/h2,5-6,9-12,14-15,23,26-27,35H,1,3-4,7-8,13,16-22H2,(H,31,36)/t26-,27+/m0/s1
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n/an/an/an/a 1.34E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89160
PNG
(2-(2-butyl-3-methyl-1-benzimidazol-3-iumyl)-1-(4-c...)
Show SMILES CCCCc1n(CC(=O)c2ccc(Cl)cc2)c2ccccc2[n+]1C
Show InChI InChI=1S/C20H22ClN2O/c1-3-4-9-20-22(2)17-7-5-6-8-18(17)23(20)14-19(24)15-10-12-16(21)13-11-15/h5-8,10-13H,3-4,9,14H2,1-2H3/q+1
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n/an/an/an/a 9.58E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89161
PNG
(6,7-dimethoxy-N-propan-2-yl-1-thiophen-2-yl-3,4-di...)
Show SMILES COc1cc2CCN(C(c3cccs3)c2cc1OC)C(=S)NC(C)C
Show InChI InChI=1S/C19H24N2O2S2/c1-12(2)20-19(24)21-8-7-13-10-15(22-3)16(23-4)11-14(13)18(21)17-6-5-9-25-17/h5-6,9-12,18H,7-8H2,1-4H3,(H,20,24)
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n/an/an/an/a 1.75E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89162
PNG
((3,4-Dimethoxy-benzyl)-[3-(4-fluoro-phenyl)-3-(4-m...)
Show SMILES COc1ccc(cc1)C(CCNCc1ccc(OC)c(OC)c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H28FNO3/c1-28-22-11-7-20(8-12-22)23(19-5-9-21(26)10-6-19)14-15-27-17-18-4-13-24(29-2)25(16-18)30-3/h4-13,16,23,27H,14-15,17H2,1-3H3
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n/an/an/an/a 2.09E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89163
PNG
(2-(4-Methoxy-phenyl)-1-p-tolyl-6,7,8,9-tetrahydro-...)
Show SMILES COc1ccc(cc1)-c1c[n+]2CCCCCc2n1-c1ccc(C)cc1
Show InChI InChI=1S/C22H25N2O/c1-17-7-11-19(12-8-17)24-21(18-9-13-20(25-2)14-10-18)16-23-15-5-3-4-6-22(23)24/h7-14,16H,3-6,15H2,1-2H3/q+1
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n/an/an/an/a 9.77E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89164
PNG
((3R,3aS,7R,7aS)-2-benzyl-7-methyl-3-(3-nitrophenyl...)
Show SMILES C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cccc(c1)[N+]([O-])=O |c:3|
Show InChI InChI=1S/C22H22N2O3/c1-15-7-5-12-19-20(15)22(25)23(14-16-8-3-2-4-9-16)21(19)17-10-6-11-18(13-17)24(26)27/h2-6,8-13,15,19-21H,7,14H2,1H3/t15-,19+,20+,21+/m1/s1
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n/an/an/an/a 2.27E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89165
PNG
(2-[2-({[1-(1-adamantyl)ethyl]amino}methyl)-4-bromo...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NCc1cc(Br)ccc1OCC(N)=O |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
Show InChI InChI=1S/C21H29BrN2O2/c1-13(21-8-14-4-15(9-21)6-16(5-14)10-21)24-11-17-7-18(22)2-3-19(17)26-12-20(23)25/h2-3,7,13-16,24H,4-6,8-12H2,1H3,(H2,23,25)
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n/an/an/an/a 1.38E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89166
PNG
(2-[2-(2-Methoxy-phenyl)-acetylamino]-4-methyl-thia...)
Show SMILES CCOC(=O)c1sc(NC(=O)Cc2ccccc2OC)nc1C
Show InChI InChI=1S/C16H18N2O4S/c1-4-22-15(20)14-10(2)17-16(23-14)18-13(19)9-11-7-5-6-8-12(11)21-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)
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n/an/an/an/a 2.24E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89167
PNG
(1-octyl-3,4-dihydro-2H-beta-carboline;hydrochlorid...)
Show SMILES CCCCCCCCC1=NCCc2c1[nH]c1ccccc21 |t:8|
Show InChI InChI=1S/C19H26N2/c1-2-3-4-5-6-7-12-18-19-16(13-14-20-18)15-10-8-9-11-17(15)21-19/h8-11,21H,2-7,12-14H2,1H3
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n/an/an/an/a 1.37E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89168
PNG
(2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]metho...)
Show SMILES CCCCNC(=O)COCc1cc(on1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H20N2O5/c1-2-3-6-18-17(20)10-21-9-13-8-15(24-19-13)12-4-5-14-16(7-12)23-11-22-14/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,20)
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n/an/an/an/a 8.04E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM89169
PNG
(1,3-bis(phenylmethyl)benzimidazol-3-ium;chloride |...)
Show SMILES C(c1ccccc1)n1c[n+](Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H19N2/c1-3-9-18(10-4-1)15-22-17-23(16-19-11-5-2-6-12-19)21-14-8-7-13-20(21)22/h1-14,17H,15-16H2/q+1
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n/an/an/an/a 5.76E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM80575
PNG
((4R,5R,6R)-1-ethyl-2-[2-(1H-indol-3-yl)ethylamino]...)
Show SMILES CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |c:7|
Show InChI InChI=1S/C25H30N4O2/c1-4-29-17(2)22(24(30)31-3)23(18-10-6-5-7-11-18)28-25(29)26-15-14-19-16-27-21-13-9-8-12-20(19)21/h5-13,16-17,22-23,27H,4,14-15H2,1-3H3,(H,26,28)/t17-,22-,23+/m1/s1
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n/an/an/an/a 1.30E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM80578
PNG
((4R,5R,6R)-1-ethyl-6-methyl-4-phenyl-2-[2-(3-pyrid...)
Show SMILES CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1cccnc1)c1ccccc1)C(=O)OC |c:7|
Show InChI InChI=1S/C22H28N4O2/c1-4-26-16(2)19(21(27)28-3)20(18-10-6-5-7-11-18)25-22(26)24-14-12-17-9-8-13-23-15-17/h5-11,13,15-16,19-20H,4,12,14H2,1-3H3,(H,24,25)/t16-,19-,20+/m1/s1
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n/an/an/an/a 1.46E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM61133
PNG
(5-(4-methylsulfanylphenyl)-N,4-diphenyl-1,3,4-thia...)
Show SMILES CSc1ccc(cc1)-c1sc(Nc2ccccc2)n[n+]1-c1ccccc1
Show InChI InChI=1S/C21H18N3S2/c1-25-19-14-12-16(13-15-19)20-24(18-10-6-3-7-11-18)23-21(26-20)22-17-8-4-2-5-9-17/h2-15H,1H3,(H,22,23)/q+1
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n/an/an/an/a 7.33E+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)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
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