Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'allen' and Initial = 'dd'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
High affinity choline transporter 1 (Rattus norvegicus)	BDBM50323515 (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50119791 (1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...) Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI InChI=1S/C20H35N2/c1-3-4-5-6-7-8-9-10-16-22-17-11-13-19(18-22)20-14-12-15-21(20)2/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3/q+1/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
High affinity choline transporter 1 (Mus musculus)	BDBM50416490 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143302 ((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...) Show SMILES CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI InChI=1S/C22H39N2/c1-3-4-5-6-7-8-9-10-11-12-18-24-19-13-15-21(20-24)22-16-14-17-23(22)2/h13,15,19-20,22H,3-12,14,16-18H2,1-2H3/q+1/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
High affinity choline transporter 1 (Mus musculus)	BDBM50416491 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	521	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	681	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	701	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143304 (3-(1-methylpyrrolidin-2-yl)-1-[6-(3-(1-methylpyrro...) Show SMILES CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1 Show InChI InChI=1S/C34H56N4/c1-35-23-17-21-33(35)31-19-15-27-37(29-31)25-13-11-9-7-5-3-4-6-8-10-12-14-26-38-28-16-20-32(30-38)34-22-18-24-36(34)2/h15-16,19-20,27-30,33-34H,3-14,17-18,21-26H2,1-2H3/q+2/t33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
High affinity choline transporter 1 (Mus musculus)	BDBM50416488 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50143301 ((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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
High affinity choline transporter 1 (Mus musculus)	BDBM50147119 ((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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50143312 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
High affinity choline transporter 1 (Mus musculus)	BDBM50204415 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143293 (1-[6-(pyridinium-1-yl)tetradecyl]pyridinium; Dibro...) Show SMILES C(CCCCCCC[n+]1ccccc1)CCCCCC[n+]1ccccc1 Show InChI InChI=1S/C24H38N2/c1(3-5-7-9-13-19-25-21-15-11-16-22-25)2-4-6-8-10-14-20-26-23-17-12-18-24-26/h11-12,15-18,21-24H,1-10,13-14,19-20H2/q+2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50143312 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding affinity towards blood brain barrier choline transporter at 10 microM using rat brain				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50143301 ((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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding affinity towards blood brain barrier choline transporter at 10 microM using rat brain				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50119801 ((S)-3-(1-methylpyrrolidin-2-yl)-1-octylpyridinium ...) Show SMILES CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r| Show InChI InChI=1S/C18H31N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3/q+1/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of [3H]-MLA binding to Nicotinic acetylcholine receptor alpha7 in rat brain				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143309 (1-Decyl-pyridinium; iodide | CHEMBL55297) Show SMILES CCCCCCCCCC[n+]1ccccc1 Show InChI InChI=1S/C15H26N/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50119801 ((S)-3-(1-methylpyrrolidin-2-yl)-1-octylpyridinium ...) Show SMILES CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r| Show InChI InChI=1S/C18H31N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3/q+1/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50060526 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50119791 (1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...) Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI InChI=1S/C20H35N2/c1-3-4-5-6-7-8-9-10-16-22-17-11-13-19(18-22)20-14-12-15-21(20)2/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3/q+1/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding affinity towards blood brain barrier choline transporter at 10 microM using rat brain				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
High affinity choline transporter 1 (Mus musculus)	BDBM50079455 (CHEMBL46486 | tetramethylammonium) Show SMILES C[N+](C)(C)C Show InChI InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147117 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
High affinity choline transporter 1 (Mus musculus)	BDBM80992 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	3.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50143293 (1-[6-(pyridinium-1-yl)tetradecyl]pyridinium; Dibro...) Show SMILES C(CCCCCCC[n+]1ccccc1)CCCCCC[n+]1ccccc1 Show InChI InChI=1S/C24H38N2/c1(3-5-7-9-13-19-25-21-15-11-16-22-25)2-4-6-8-10-14-20-26-23-17-12-18-24-26/h11-12,15-18,21-24H,1-10,13-14,19-20H2/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of [3H]-MLA binding to Nicotinic acetylcholine receptor alpha7 in rat brain				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143307 (1-Pentadecyl-pyridinium; bromide | CHEMBL55479) Show SMILES CCCCCCCCCCCCCCC[n+]1ccccc1 Show InChI InChI=1S/C20H36N/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat brain				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147114 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
High affinity choline transporter 1 (Mus musculus)	BDBM50416495 (CHEMBL1209648) Show SMILES C1CN2CCC1CC2 Show InChI InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50026220 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50119801 ((S)-3-(1-methylpyrrolidin-2-yl)-1-octylpyridinium ...) Show SMILES CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r| Show InChI InChI=1S/C18H31N2/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2/h9,11,15-16,18H,3-8,10,12-14H2,1-2H3/q+1/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding affinity towards blood brain barrier choline transporter at 10 microM using rat brain				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
High affinity choline transporter 1 (Mus musculus)	BDBM50060526 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147116 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
High affinity choline transporter 1 (Mus musculus)	BDBM50416505 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.07E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147122 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (2-Methylamino-ethanol | 2-hydroxy-N-methylethanami...) Show SMILES CNCCO Show InChI InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 ((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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.62E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 ((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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
High affinity choline transporter 1 (Mus musculus)	BDBM50416484 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50147112 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
High affinity choline transporter 1 (Mus musculus)	BDBM50416496 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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

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