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PubMed code 20637607

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
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 1


(Rattus norvegicus)		BDBM50323515
PNG
(CHEMBL1209714 | Hemicholinium)
Show SMILES C[N+]1(C)CCO[C@](O)(C1)c1ccc(cc1)-c1ccc(cc1)[C@@]1(O)C[N+](C)(C)CCO1 |r|
Show InChI InChI=1S/C24H34N2O4/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24/h5-12,27-28H,13-18H2,1-4H3/q+2/t23-,24-/m1/s1
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 10n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to rat choline transporter 1

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416502
PNG
(CHEMBL1209654)
Show SMILES CCCCC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1
Show InChI InChI=1S/C23H36NO3/c1-5-6-9-14-24(15-10-7-11-16-24)17-12-8-13-20-18-21(25-2)23(27-4)22(19-20)26-3/h18-19H,5-7,9-12,14-17H2,1-4H3/q+1
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 20.0n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416489
PNG
(CHEMBL1209507)
Show SMILES COc1cc(cc(OC)c1OC)C#CCC[N+]12CCC(CC1)C2
Show InChI InChI=1S/C19H26NO3/c1-21-17-12-16(13-18(22-2)19(17)23-3)6-4-5-9-20-10-7-15(14-20)8-11-20/h12-13,15H,5,7-11,14H2,1-3H3/q+1
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 50n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416490
PNG
(CHEMBL1209508)
Show SMILES COc1cc(cc(OC)c1OC)C#CCC[N+]12CCC(CC1)CC2
Show InChI InChI=1S/C20H28NO3/c1-22-18-14-17(15-19(23-2)20(18)24-3)6-4-5-10-21-11-7-16(8-12-21)9-13-21/h14-16H,5,7-13H2,1-3H3/q+1
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 90.0n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416491
PNG
(CHEMBL1209577)
Show SMILES CC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1
Show InChI InChI=1S/C20H30NO3/c1-5-21(12-8-6-9-13-21)14-10-7-11-17-15-18(22-2)20(24-4)19(16-17)23-3/h15-16H,5-6,8-10,12-14H2,1-4H3/q+1
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 180n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416508
PNG
(CHEMBL1209578)
Show SMILES CC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCC1
Show InChI InChI=1S/C19H28NO3/c1-5-20(12-8-9-13-20)11-7-6-10-16-14-17(21-2)19(23-4)18(15-16)22-3/h14-15H,5,7-9,11-13H2,1-4H3/q+1
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 200n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416504
PNG
(CHEMBL1209579)
Show SMILES CCCCCCCC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1
Show InChI InChI=1S/C26H42NO3/c1-5-6-7-8-9-12-17-27(18-13-10-14-19-27)20-15-11-16-23-21-24(28-2)26(30-4)25(22-23)29-3/h21-22H,5-10,12-15,17-20H2,1-4H3/q+1
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 230n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416506
PNG
(CHEMBL1209581)
Show SMILES C[N+]12CCC(CC1)C(=O)C2 |TLB:8:7:2.3:6.5,(9,-9.87,;9.05,-8.27,;9.32,-6.3,;8.86,-5.15,;8.78,-6.85,;7.26,-7.52,;7.46,-8.95,;10.19,-7.48,;11.34,-6.56,;10.48,-8.92,)|
Show InChI InChI=1S/C8H14NO/c1-9-4-2-7(3-5-9)8(10)6-9/h7H,2-6H2,1H3/q+1
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 521n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416503
PNG
(CHEMBL1209713)
Show SMILES OCC[N+]12CCC(CC1)CC2
Show InChI InChI=1S/C9H18NO/c11-8-7-10-4-1-9(2-5-10)3-6-10/h9,11H,1-8H2/q+1
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 640n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50026220
PNG
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Show SMILES C[N+](C)(C)CCO
Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
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 681n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416501
PNG
(CHEMBL1209653)
Show SMILES CC[N+](CC)(CC)CCC#Cc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H30NO3/c1-7-20(8-2,9-3)13-11-10-12-16-14-17(21-4)19(23-6)18(15-16)22-5/h14-15H,7-9,11,13H2,1-6H3/q+1
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 701n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416488
PNG
(CHEMBL1209506)
Show SMILES COc1cc(cc(OC)c1OC)C#CCC[N+](C)(C)C
Show InChI InChI=1S/C16H24NO3/c1-17(2,3)10-8-7-9-13-11-14(18-4)16(20-6)15(12-13)19-5/h11-12H,8,10H2,1-6H3/q+1
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 2.00E+3n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50147119
PNG
((3-Hydroxy-propyl)-trimethyl-ammonium | CHEMBL1209...)
Show SMILES C[N+](C)(C)CCCO
Show InChI InChI=1S/C6H16NO/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3/q+1
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 2.20E+3n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50204415
PNG
(1-methyl-1-azonia-bicyclo[2.2.2]octane | CHEMBL120...)
Show SMILES C[N+]12CCC(CC1)CC2
Show InChI InChI=1S/C8H16N/c1-9-5-2-8(3-6-9)4-7-9/h8H,2-7H2,1H3/q+1
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 4.70E+3n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50079455
PNG
(CHEMBL46486 | tetramethylammonium)
Show SMILES C[N+](C)(C)C
Show InChI InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
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 3.01E+4n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM80992
PNG
(1-cetylpyridin-1-ium;bromide | 1-hexadecylpyridin-...)
Show SMILES CCCCCCCCCCCCCCCC[n+]1ccccc1
Show InChI InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1
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 3.21E+4n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416495
PNG
(CHEMBL1209648)
Show SMILES C1CN2CCC1CC2
Show InChI InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2
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 4.01E+4n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50060526
PNG
(2-Dimethylamino-ethanol | 2-hydroxy-N,N-dimethylet...)
Show SMILES CN(C)CCO
Show InChI InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
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 5.57E+4n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416507
PNG
(CHEMBL1209649)
Show SMILES C[N+]12CCC(O)(CC1)CC2
Show InChI InChI=1S/C8H16NO/c1-9-5-2-8(10,3-6-9)4-7-9/h10H,2-7H2,1H3/q+1
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 7.21E+4n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM80386
PNG
(CHEMBL1209421 | MLS000069658 | PHENYLTRIMETHYLAMMO...)
Show SMILES C[N+](C)(C)c1ccccc1
Show InChI InChI=1S/C9H14N/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
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 7.52E+4n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416505
PNG
(CHEMBL1209580)
Show SMILES Cc1cc(C)nc(C)c1
Show InChI InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3
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 1.07E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416484
PNG
(CHEMBL1209503)
Show SMILES CC(=O)OCCC[N+](C)(C)C
Show InChI InChI=1S/C8H18NO2/c1-8(10)11-7-5-6-9(2,3)4/h5-7H2,1-4H3/q+1
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 1.90E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416496
PNG
(CHEMBL1209650)
Show SMILES CC1C(O)C2CC[N+]1(C)CC2 |TLB:0:1:6.5:9.10,THB:3:2:6.5:9.10,(7.89,-10.07,;8.66,-8.7,;8.46,-7.29,;7.09,-6.52,;9.96,-6.64,;11.34,-7.26,;11.62,-8.68,;10.22,-8.03,;10.17,-9.6,;10.49,-6.09,;10.03,-4.96,)|
Show InChI InChI=1S/C9H18NO/c1-7-9(11)8-3-5-10(7,2)6-4-8/h7-9,11H,3-6H2,1-2H3/q+1
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 2.10E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50047005
PNG
(1-Aza-bicyclo[2.2.2]octan-3-ol | 1-Aza-bicyclo[2.2...)
Show SMILES OC1CN2CCC1CC2 |THB:0:1:7.8:5.4,(6.92,.2,;7.84,-.7,;6.97,-1.64,;7.02,-3.14,;8.8,-4.11,;9.62,-2.84,;7.9,-1.89,;6.04,-2.81,;5.27,-4.16,)|
Show InChI InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
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 2.10E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50149890
PNG
(CHEMBL9324 | tetraethylammonium)
Show SMILES CC[N+](CC)(CC)CC
Show InChI InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1
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 2.60E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416485
PNG
(CHEMBL1209504)
Show SMILES COC(=O)CC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-8(2,3)6-5-7(9)10-4/h5-6H2,1-4H3/q+1
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 2.70E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416483
PNG
(CHEMBL1209424)
Show SMILES CN(C)CCCO
Show InChI InChI=1S/C5H13NO/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
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 2.90E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50147105
PNG
((4-Hydroxy-butyl)-trimethyl-ammonium | CHEMBL10228...)
Show SMILES C[N+](C)(C)CCCCO
Show InChI InChI=1S/C7H18NO/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3/q+1
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 3.10E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416486
PNG
(CHEMBL1209505)
Show SMILES CCOC(=O)CC[N+](C)(C)C
Show InChI InChI=1S/C8H18NO2/c1-5-11-8(10)6-7-9(2,3)4/h5-7H2,1-4H3/q+1
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 3.40E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416499
PNG
(TRIMETHYLAMMONIUM)
Show InChI InChI=1S/C3H9N/c1-4(2)3/h1-3H3
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 3.40E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416500
PNG
(CHEMBL1209652)
Show SMILES C[n+]1cccc(c1)C(N)=O
Show InChI InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
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 3.61E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM10458
PNG
(4-AP | 4-Aminopyridine 10 | CHEMBL284348 | DALFAMP...)
Show SMILES Nc1ccncc1
Show InChI InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
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 4.81E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
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 5.20E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416493
PNG
(CHEMBL354077)
Show SMILES Nc1ccncc1N
Show InChI InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
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 8.20E+5n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416487
PNG
(CHEMBL1236196 | TETRABUTYLAMMONIUM)
Show SMILES CCCC[N+](CCCC)(CCCC)CCCC
Show InChI InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
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 1.05E+6n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50147120
PNG
(2-Methylamino-ethanol | 2-hydroxy-N-methylethanami...)
Show InChI InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
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 3.80E+6n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416497
PNG
(DIMETHYLAMINE)
Show InChI InChI=1S/C2H7N/c1-3-2/h3H,1-2H3
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 9.42E+6n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM50416492
PNG
(Integrase inhibitor, R3{3} | METHYLAMINE)
Show InChI InChI=1S/CH5N/c1-2/h2H2,1H3
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 3.51E+7n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
High affinity choline transporter 1


(Mus musculus)		BDBM7973
PNG
(2-aminoethan-1-ol | CHEMBL104943 | ethanolamine)
Show InChI InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
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 1.50E+8n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome

Bioorg Med Chem Lett 20: 4870-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.090
BindingDB Entry DOI: 10.7270/Q29C6XMQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%