Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50014481   

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
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
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
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
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)	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
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
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)	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
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)	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
Sodium- and chloride-dependent creatine transporter 1 (Rattus norvegicus)	BDBM50143296 (1-Butyl-pyridinium | CHEMBL443525) Show SMILES CCCC[n+]1ccccc1 Show InChI InChI=1S/C9H14N/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+5	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)	BDBM50143295 (1-Octyl-pyridinium; iodide | 1-octylpyridinium iod...) Show SMILES CCCCCCCC[n+]1ccccc1 Show InChI InChI=1S/C13H22N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.50E+5	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-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	n/a	n/a	9	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))	BDBM50143305 ((3aR,9bS)-6-Decyl-1-methyl-2,3,3a,4,5,9b-hexahydro...) Show SMILES CCCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12 Show InChI InChI=1S/C22H37N2/c1-3-4-5-6-7-8-9-10-16-24-17-11-12-20-21(24)14-13-19-15-18-23(2)22(19)20/h11-12,17,19,22H,3-10,13-16,18H2,1-2H3/q+1/t19-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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))	BDBM50143303 ((3aS,9bR)-1-Methyl-8-undecyl-2,3,3a,4,5,9b-hexahyd...) Show SMILES CCCCCCCCCCC[n+]1ccc2CC[C@H]3CCN(C)[C@H]3c2c1 Show InChI InChI=1S/C23H39N2/c1-3-4-5-6-7-8-9-10-11-16-25-18-15-20-12-13-21-14-17-24(2)23(21)22(20)19-25/h15,18-19,21,23H,3-14,16-17H2,1-2H3/q+1/t21-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143306 ((3aR,9bS)-1-Methyl-6-octyl-2,3,3a,4,5,9b-hexahydro...) Show SMILES CCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12 Show InChI InChI=1S/C20H33N2/c1-3-4-5-6-7-8-14-22-15-9-10-18-19(22)12-11-17-13-16-21(2)20(17)18/h9-10,15,17,20H,3-8,11-14,16H2,1-2H3/q+1/t17-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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))	BDBM50143300 ((3aR,9bS)-1-Methyl-6-undecyl-2,3,3a,4,5,9b-hexahyd...) Show SMILES CCCCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12 Show InChI InChI=1S/C23H39N2/c1-3-4-5-6-7-8-9-10-11-17-25-18-12-13-21-22(25)15-14-20-16-19-24(2)23(20)21/h12-13,18,20,23H,3-11,14-17,19H2,1-2H3/q+1/t20-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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))	BDBM50143298 ((3aS,9bR)-1-Methyl-8-octyl-2,3,3a,4,5,9b-hexahydro...) Show SMILES CCCCCCCC[n+]1ccc2CC[C@H]3CCN(C)[C@H]3c2c1 Show InChI InChI=1S/C20H33N2/c1-3-4-5-6-7-8-13-22-15-12-17-9-10-18-11-14-21(2)20(18)19(17)16-22/h12,15-16,18,20H,3-11,13-14H2,1-2H3/q+1/t18-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	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))	BDBM50143294 (1-Icosyl-pyridinium; bromide | 1-icosylpyridinium ...) Show SMILES CCCCCCCCCCCCCCCCCCCC[n+]1ccccc1 Show InChI InChI=1S/C25H46N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h19,21-22,24-25H,2-18,20,23H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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
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	n/a	n/a	130	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
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	n/a	n/a	170	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))	BDBM50143297 ((3aS,9bR)-8-Dodecyl-1-methyl-2,3,3a,4,5,9b-hexahyd...) Show SMILES CCCCCCCCCCCC[n+]1ccc2CC[C@H]3CCN(C)[C@H]3c2c1 Show InChI InChI=1S/C24H41N2/c1-3-4-5-6-7-8-9-10-11-12-17-26-19-16-21-13-14-22-15-18-25(2)24(22)23(21)20-26/h16,19-20,22,24H,3-15,17-18H2,1-2H3/q+1/t22-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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))	BDBM50143308 (1-Dodecyl-pyridinium; iodide | CHEMBL540201) Show SMILES CCCCCCCCCCCC[n+]1ccccc1 Show InChI InChI=1S/C17H30N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143311 ((3aR,9bS)-1-Methyl-6-nonyl-2,3,3a,4,5,9b-hexahydro...) Show SMILES CCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12 Show InChI InChI=1S/C21H35N2/c1-3-4-5-6-7-8-9-15-23-16-10-11-19-20(23)13-12-18-14-17-22(2)21(18)19/h10-11,16,18,21H,3-9,12-15,17H2,1-2H3/q+1/t18-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	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))	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	n/a	n/a	320	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))	BDBM50143299 ((3aS,9bR)-8-Decyl-1-methyl-2,3,3a,4,5,9b-hexahydro...) Show SMILES CCCCCCCCCC[n+]1ccc2CC[C@H]3CCN(C)[C@H]3c2c1 Show InChI InChI=1S/C22H37N2/c1-3-4-5-6-7-8-9-10-15-24-17-14-19-11-12-20-13-16-23(2)22(20)21(19)18-24/h14,17-18,20,22H,3-13,15-16H2,1-2H3/q+1/t20-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	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
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	n/a	n/a	620	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))	BDBM50143310 ((3aS,9bR)-1-Methyl-8-nonyl-2,3,3a,4,5,9b-hexahydro...) Show SMILES CCCCCCCCC[n+]1ccc2CC[C@H]3CCN(C)[C@H]3c2c1 Show InChI InChI=1S/C21H35N2/c1-3-4-5-6-7-8-9-14-23-16-13-18-10-11-19-12-15-22(2)21(19)20(18)17-23/h13,16-17,19,21H,3-12,14-15H2,1-2H3/q+1/t19-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	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))	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	n/a	n/a	1.00E+3	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