Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50035290   

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))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| 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/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50366779 (METHYLLYCACONITINE) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121739 (Bungarotoxin Neuronal | Bungarotoxin,Alpha | CHEMB...) Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |c:59,t:11| Show InChI InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50035415 ((S)-1'-demethylnicotine | 1'-demethyl nicotine | 3...) Show SMILES C1CN[C@@H](C1)c1cccnc1 Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| 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/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50035415 ((S)-1'-demethylnicotine | 1'-demethyl nicotine | 3...) Show SMILES C1CN[C@@H](C1)c1cccnc1 Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50366779 (METHYLLYCACONITINE) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121739 (Bungarotoxin Neuronal | Bungarotoxin,Alpha | CHEMB...) Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |c:59,t:11| Show InChI InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121744 (1-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-4-pyridin-3...) Show SMILES CN1CCC[C@H]1CN1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C16H26N4/c1-18-7-3-5-16(18)14-20-10-8-19(9-11-20)13-15-4-2-6-17-12-15/h2,4,6,12,16H,3,5,7-11,13-14H2,1H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121745 ((R,S)-1-(1-Methyl-piperidin-2-ylmethyl)-4-pyridin-...) Show SMILES CN1CCCCC1CN1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C17H28N4/c1-19-8-3-2-6-17(19)15-21-11-9-20(10-12-21)14-16-5-4-7-18-13-16/h4-5,7,13,17H,2-3,6,8-12,14-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121741 (1-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-4-pyridin-4...) Show SMILES CN1CCC[C@H]1CN1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C16H26N4/c1-18-8-2-3-16(18)14-20-11-9-19(10-12-20)13-15-4-6-17-7-5-15/h4-7,16H,2-3,8-14H2,1H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.89E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121742 ((R,S)-1-(1-Methyl-piperidin-2-ylmethyl)-4-pyridin-...) Show SMILES CN1CCCCC1CN1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C17H28N4/c1-19-9-3-2-4-17(19)15-21-12-10-20(11-13-21)14-16-5-7-18-8-6-16/h5-8,17H,2-4,9-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121749 (1-Pyridin-4-ylmethyl-4-(S)-1-pyrrolidin-2-ylmethyl...) Show SMILES C([C@@H]1CCCN1)N1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C15H24N4/c1-2-15(17-5-1)13-19-10-8-18(9-11-19)12-14-3-6-16-7-4-14/h3-4,6-7,15,17H,1-2,5,8-13H2/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121736 ((R,S)Piperidin-2-yl-(4-pyridin-3-ylmethyl-piperazi...) Show SMILES O=C(C1CCCCN1)N1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C16H24N4O/c21-16(15-5-1-2-7-18-15)20-10-8-19(9-11-20)13-14-4-3-6-17-12-14/h3-4,6,12,15,18H,1-2,5,7-11,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	5.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121743 ((R,S)Piperidin-2-yl-(4-pyridin-4-ylmethyl-piperazi...) Show SMILES O=C(C1CCCCN1)N1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C16H24N4O/c21-16(15-3-1-2-6-18-15)20-11-9-19(10-12-20)13-14-4-7-17-8-5-14/h4-5,7-8,15,18H,1-3,6,9-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121743 ((R,S)Piperidin-2-yl-(4-pyridin-4-ylmethyl-piperazi...) Show SMILES O=C(C1CCCCN1)N1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C16H24N4O/c21-16(15-3-1-2-6-18-15)20-11-9-19(10-12-20)13-14-4-7-17-8-5-14/h4-5,7-8,15,18H,1-3,6,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121745 ((R,S)-1-(1-Methyl-piperidin-2-ylmethyl)-4-pyridin-...) Show SMILES CN1CCCCC1CN1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C17H28N4/c1-19-8-3-2-6-17(19)15-21-11-9-20(10-12-21)14-16-5-4-7-18-13-16/h4-5,7,13,17H,2-3,6,8-12,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121746 ((4-Pyridin-2-ylmethyl-piperazin-1-yl)-(S)-pyrrolid...) Show SMILES O=C([C@@H]1CCCN1)N1CCN(Cc2ccccn2)CC1 Show InChI InChI=1S/C15H22N4O/c20-15(14-5-3-7-17-14)19-10-8-18(9-11-19)12-13-4-1-2-6-16-13/h1-2,4,6,14,17H,3,5,7-12H2/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121738 ((R,S)-1-Piperidin-2-ylmethyl-4-pyridin-3-ylmethyl-...) Show SMILES C(C1CCCCN1)N1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C16H26N4/c1-2-7-18-16(5-1)14-20-10-8-19(9-11-20)13-15-4-3-6-17-12-15/h3-4,6,12,16,18H,1-2,5,7-11,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121749 (1-Pyridin-4-ylmethyl-4-(S)-1-pyrrolidin-2-ylmethyl...) Show SMILES C([C@@H]1CCCN1)N1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C15H24N4/c1-2-15(17-5-1)13-19-10-8-18(9-11-19)12-14-3-6-16-7-4-14/h3-4,6-7,15,17H,1-2,5,8-13H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121744 (1-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-4-pyridin-3...) Show SMILES CN1CCC[C@H]1CN1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C16H26N4/c1-18-7-3-5-16(18)14-20-10-8-19(9-11-20)13-15-4-2-6-17-12-15/h2,4,6,12,16H,3,5,7-11,13-14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121741 (1-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-4-pyridin-4...) Show SMILES CN1CCC[C@H]1CN1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C16H26N4/c1-18-8-2-3-16(18)14-20-11-9-19(10-12-20)13-15-4-6-17-7-5-15/h4-7,16H,2-3,8-14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121742 ((R,S)-1-(1-Methyl-piperidin-2-ylmethyl)-4-pyridin-...) Show SMILES CN1CCCCC1CN1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C17H28N4/c1-19-9-3-2-4-17(19)15-21-12-10-20(11-13-21)14-16-5-7-18-8-6-16/h5-8,17H,2-4,9-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121740 ((R,S)-1-Piperidin-2-ylmethyl-4-pyridin-4-ylmethyl-...) Show SMILES C(C1CCCCN1)N1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C16H26N4/c1-2-6-18-16(3-1)14-20-11-9-19(10-12-20)13-15-4-7-17-8-5-15/h4-5,7-8,16,18H,1-3,6,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121737 (1-Pyridin-3-ylmethyl-4-(S)-1-pyrrolidin-2-ylmethyl...) Show SMILES C([C@@H]1CCCN1)N1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C15H24N4/c1-3-14(11-16-5-1)12-18-7-9-19(10-8-18)13-15-4-2-6-17-15/h1,3,5,11,15,17H,2,4,6-10,12-13H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121736 ((R,S)Piperidin-2-yl-(4-pyridin-3-ylmethyl-piperazi...) Show SMILES O=C(C1CCCCN1)N1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C16H24N4O/c21-16(15-5-1-2-7-18-15)20-10-8-19(9-11-20)13-14-4-3-6-17-12-14/h3-4,6,12,15,18H,1-2,5,7-11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50121748 ((R,S)Piperidin-2-yl-(4-pyridin-2-ylmethyl-piperazi...) Show SMILES O=C(C1CCCCN1)N1CCN(Cc2ccccn2)CC1 Show InChI InChI=1S/C16H24N4O/c21-16(15-6-2-4-8-18-15)20-11-9-19(10-12-20)13-14-5-1-3-7-17-14/h1,3,5,7,15,18H,2,4,6,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra...				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121748 ((R,S)Piperidin-2-yl-(4-pyridin-2-ylmethyl-piperazi...) Show SMILES O=C(C1CCCCN1)N1CCN(Cc2ccccn2)CC1 Show InChI InChI=1S/C16H24N4O/c21-16(15-6-2-4-8-18-15)20-11-9-19(10-12-20)13-14-5-1-3-7-17-14/h1,3,5,7,15,18H,2,4,6,8-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121740 ((R,S)-1-Piperidin-2-ylmethyl-4-pyridin-4-ylmethyl-...) Show SMILES C(C1CCCCN1)N1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C16H26N4/c1-2-6-18-16(3-1)14-20-11-9-19(10-12-20)13-15-4-7-17-8-5-15/h4-5,7-8,16,18H,1-3,6,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121738 ((R,S)-1-Piperidin-2-ylmethyl-4-pyridin-3-ylmethyl-...) Show SMILES C(C1CCCCN1)N1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C16H26N4/c1-2-7-18-16(5-1)14-20-10-8-19(9-11-20)13-15-4-3-6-17-12-15/h3-4,6,12,16,18H,1-2,5,7-11,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121737 (1-Pyridin-3-ylmethyl-4-(S)-1-pyrrolidin-2-ylmethyl...) Show SMILES C([C@@H]1CCCN1)N1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C15H24N4/c1-3-14(11-16-5-1)12-18-7-9-19(10-8-18)13-15-4-2-6-17-15/h1,3,5,11,15,17H,2,4,6-10,12-13H2/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50121746 ((4-Pyridin-2-ylmethyl-piperazin-1-yl)-(S)-pyrrolid...) Show SMILES O=C([C@@H]1CCCN1)N1CCN(Cc2ccccn2)CC1 Show InChI InChI=1S/C15H22N4O/c20-15(14-5-3-7-17-14)19-10-8-18(9-11-19)12-13-4-1-2-6-16-13/h1-2,4,6,14,17H,3,5,7-12H2/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
					More data for this Ligand-Target Pair