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PubMed code 15149650

Compile data set for download or QSAR
Found 32 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
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50143301
PNG
((2-Hydroxy-ethyl)-dimethyl-octyl-ammonium | CHEMBL...)
Show SMILES CCCCCCCC[N+](C)(C)CCO
Show InChI InChI=1S/C12H28NO/c1-4-5-6-7-8-9-10-13(2,3)11-12-14/h14H,4-12H2,1-3H3/q+1
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 2.10E+3n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline brain uptake through choline transporter was determined in situ brain perfusion studies in Male Fischer-344 rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50143312
PNG
(CHEMBL53882 | Hexyl-(2-hydroxy-ethyl)-dimethyl-amm...)
Show SMILES CCCCCC[N+](C)(C)CCO
Show InChI InChI=1S/C10H24NO/c1-4-5-6-7-8-11(2,3)9-10-12/h12H,4-10H2,1-3H3/q+1
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PubMed
 2.30E+3n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		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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 2.10E+4n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]choline brain uptake through choline transporter was determined in situ brain perfusion studies in Male Fischer-344 rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147117
PNG
(1-Octyl-piperidine | CHEMBL105218)
Show SMILES CCCCCCCCN1CCCCC1
Show InChI InChI=1S/C13H27N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h2-13H2,1H3
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 3.20E+4n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147114
PNG
(Butyl-(2-hydroxy-ethyl)-dimethyl-ammonium | CHEMBL...)
Show SMILES CCCC[N+](C)(C)CCO
Show InChI InChI=1S/C8H20NO/c1-4-5-6-9(2,3)7-8-10/h10H,4-8H2,1-3H3/q+1
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 4.00E+4n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		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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 4.20E+4n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147104
PNG
(3-(1-Methyl-pyrrolidin-2-yl)-1-octyl-piperidine | ...)
Show SMILES CCCCCCCCN1CCCC(C1)C1CCCN1C
Show InChI InChI=1S/C18H36N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h17-18H,3-16H2,1-2H3
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 4.50E+4n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147116
PNG
(CHEMBL105536 | Ethyl-(2-hydroxy-ethyl)-dimethyl-am...)
Show SMILES CC[N+](C)(C)CCO
Show InChI InChI=1S/C6H16NO/c1-4-7(2,3)5-6-8/h8H,4-6H2,1-3H3/q+1
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 9.40E+4n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147122
PNG
(2-(Dimethyl-lambda*4*-sulfanyl)-ethanol | CHEMBL54...)
Show SMILES C[S+](C)CCO
Show InChI InChI=1S/C4H11OS/c1-6(2)4-3-5/h5H,3-4H2,1-2H3/q+1
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 1.17E+5n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		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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 1.27E+5n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		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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 1.62E+5n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147103
PNG
((2-Hydroxy-ethyl)-dimethyl-propyl-ammonium | CHEMB...)
Show SMILES CCC[N+](C)(C)CCO
Show InChI InChI=1S/C7H18NO/c1-4-5-8(2,3)6-7-9/h9H,4-7H2,1-3H3/q+1
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 1.90E+5n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		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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 2.00E+5n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147112
PNG
(2-hydroxy-N,N,N-trimethylpropanaminium | 2-methylc...)
Show SMILES CC(O)C[N+](C)(C)C
Show InChI InChI=1S/C6H16NO/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/q+1
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 2.00E+5n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147108
PNG
(2-Hydroxy-4,4-dimethyl-2-phenyl-morpholin-4-ium | ...)
Show SMILES C[N+]1(C)CCOC(O)(C1)c1ccccc1
Show InChI InChI=1S/C12H18NO2/c1-13(2)8-9-15-12(14,10-13)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3/q+1
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 3.84E+5n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147124
PNG
(1-(4-Phenethyl-cyclohex-1-enyl)-ethanone | CHEMBL1...)
Show SMILES CC(=O)C1=CCC(CCc2ccccc2)CC1 |t:3|
Show InChI InChI=1S/C16H20O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3
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 4.95E+5n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147118
PNG
((2-Hydroxy-cyclohexyl)-trimethyl-ammonium | CHEMBL...)
Show SMILES C[N+](C)(C)[C@@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C9H20NO/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/q+1/t8-,9+/m1/s1
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 5.74E+5n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147100
PNG
((4-Fluoro-phenyl)-(2-hydroxy-ethyl)-dimethyl-ammon...)
Show SMILES C[N+](C)(CCO)c1ccc(F)cc1
Show InChI InChI=1S/C10H15FNO/c1-12(2,7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,7-8H2,1-2H3/q+1
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 7.37E+5n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM7973
PNG
(2-aminoethan-1-ol | CHEMBL104943 | ethanolamine)
Show InChI InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
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 9.03E+5n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50366913
PNG
(CHEMBL555023)
Show SMILES CC[N+](CC)(CC)CCO
Show InChI InChI=1S/C8H20NO/c1-4-9(5-2,6-3)7-8-10/h10H,4-8H2,1-3H3/q+1
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 1.90E+6n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147110
PNG
(CHEMBL104897 | Ethyl-trimethyl-ammonium)
Show SMILES CC[N+](C)(C)C
Show InChI InChI=1S/C5H14N/c1-5-6(2,3)4/h5H2,1-4H3/q+1
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 4.70E+6n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147123
PNG
(((1R,2S)-2-Hydroxy-cyclohexyl)-trimethyl-ammonium ...)
Show SMILES C[N+](C)(C)C1CCCCC1O
Show InChI InChI=1S/C9H20NO/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/q+1
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 5.37E+6n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147102
PNG
(1-Methylpyridinium | CHEMBL302326 | N-methylpyridi...)
Show SMILES C[n+]1ccccc1
Show InChI InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1
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>1.00E+7n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147121
PNG
(3-(4-Pyridin-3-ylmethyl-piperazin-1-yl)-propan-1-o...)
Show SMILES OCCCN1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C13H21N3O/c17-10-2-5-15-6-8-16(9-7-15)12-13-3-1-4-14-11-13/h1,3-4,11,17H,2,5-10,12H2
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>1.00E+7n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147115
PNG
(((1R,2R)-2-Hydroxy-cyclohexyl)-trimethyl-ammonium ...)
Show SMILES C[N+](C)(C)[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C9H20NO/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/q+1/t8-,9-/m1/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147109
PNG
(1-Methyl-3-(1-methyl-pyrrolidin-2-yl)-piperidine |...)
Show SMILES CN1CCCC1C1CCCN(C)C1
Show InChI InChI=1S/C11H22N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h10-11H,3-9H2,1-2H3
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>1.00E+7n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147106
PNG
(2-Dimethylamino-cyclohexanol | CHEMBL103052)
Show SMILES CN(C)C1CCCCC1O
Show InChI InChI=1S/C8H17NO/c1-9(2)7-5-3-4-6-8(7)10/h7-8,10H,3-6H2,1-2H3
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>1.00E+7n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50026479
PNG
(2-Methylsulfanyl-ethanol | CHEMBL277871)
Show InChI InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
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>1.00E+7n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		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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>1.00E+7n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147113
PNG
((2-Hydroxy-1-methyl-ethyl)-trimethyl-ammonium | CH...)
Show SMILES CC(CO)[N+](C)(C)C
Show InChI InChI=1S/C6H16NO/c1-6(5-8)7(2,3)4/h6,8H,5H2,1-4H3/q+1
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>1.00E+7n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147111
PNG
((2-Hydroxy-ethyl)-dimethyl-phenyl-ammonium | CHEMB...)
Show SMILES C[N+](C)(CCO)c1ccccc1
Show InChI InChI=1S/C10H16NO/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/q+1
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>1.00E+7n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1


(Rattus norvegicus)		BDBM50147101
PNG
(1-(1-Ethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-ethano...)
Show SMILES CCN1CCC(=CC1)C(C)=O |c:5|
Show InChI InChI=1S/C9H15NO/c1-3-10-6-4-9(5-7-10)8(2)11/h4H,3,5-7H2,1-2H3
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>1.00E+7n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats

Bioorg Med Chem Lett 14: 3085-92 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.020
BindingDB Entry DOI: 10.7270/Q2BG2PJR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%