Compile Data Set for Download or QSAR

Found 308 hits with Last Name = 'horti' and Initial = 'a'   

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))	BDBM50455135 (CHEMBL123225) Show SMILES Ic1ncccc1OC[C@@H]1CCN1 Show InChI InChI=1S/C9H11IN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain				J Med Chem 41: 3690-8 (1998) Article DOI: 10.1021/jm980170a BindingDB Entry DOI: 10.7270/Q2HM59ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474596 (CHEMBL79332) Show SMILES Fc1cc(\C=C\c2cc(OC[C@@H]3CCN3)cnc2Cl)ccn1 Show InChI InChI=1S/C16H15ClFN3O/c17-16-12(2-1-11-3-5-20-15(18)7-11)8-14(9-21-16)22-10-13-4-6-19-13/h1-3,5,7-9,13,19H,4,6,10H2/b2-1+/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474584 (CHEMBL79387) Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1-c1ccnc(Br)c1 Show InChI InChI=1S/C14H13BrClN3O/c15-13-5-9(1-3-18-13)12-6-11(7-19-14(12)16)20-8-10-2-4-17-10/h1,3,5-7,10,17H,2,4,8H2/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474594 (CHEMBL86050) Show SMILES Fc1ncc(cc1Br)-c1cc(OC[C@@H]2CCN2)cnc1Cl Show InChI InChI=1S/C14H12BrClFN3O/c15-12-3-8(5-20-14(12)17)11-4-10(6-19-13(11)16)21-7-9-1-2-18-9/h3-6,9,18H,1-2,7H2/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474583 (CHEMBL86051) Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1-c1ccc(Br)nc1 Show InChI InChI=1S/C14H13BrClN3O/c15-13-2-1-9(6-18-13)12-5-11(7-19-14(12)16)20-8-10-3-4-17-10/h1-2,5-7,10,17H,3-4,8H2/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474587 (CHEMBL314718) Show SMILES Clc1ccc(cn1)-c1cc(OC[C@@H]2CCN2)cnc1Cl Show InChI InChI=1S/C14H13Cl2N3O/c15-13-2-1-9(6-18-13)12-5-11(7-19-14(12)16)20-8-10-3-4-17-10/h1-2,5-7,10,17H,3-4,8H2/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474595 (CHEMBL79594) Show SMILES Fc1cc(ccn1)-c1cc(OC[C@@H]2CCN2)cnc1Cl |r| Show InChI InChI=1S/C14H13ClFN3O/c15-14-12(9-1-3-18-13(16)5-9)6-11(7-19-14)20-8-10-2-4-17-10/h1,3,5-7,10,17H,2,4,8H2/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474582 (CHEMBL83444) Show SMILES Fc1ccc(cn1)-c1cc(OC[C@@H]2CCN2)cnc1Cl Show InChI InChI=1S/C14H13ClFN3O/c15-14-12(9-1-2-13(16)18-6-9)5-11(7-19-14)20-8-10-3-4-17-10/h1-2,5-7,10,17H,3-4,8H2/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474593 (CHEMBL313877) Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1\C=C\c1ccnc(Br)c1 Show InChI InChI=1S/C16H15BrClN3O/c17-15-7-11(3-5-20-15)1-2-12-8-14(9-21-16(12)18)22-10-13-4-6-19-13/h1-3,5,7-9,13,19H,4,6,10H2/b2-1+/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50295955 (5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...) Show SMILES Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 |r| Show InChI InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474591 (CHEMBL79515) Show SMILES Clc1ncc(OC[C@@H]2CCCN2)cc1\C=C\c1ccnc(Br)c1 Show InChI InChI=1S/C17H17BrClN3O/c18-16-8-12(5-7-21-16)3-4-13-9-15(10-22-17(13)19)23-11-14-2-1-6-20-14/h3-5,7-10,14,20H,1-2,6,11H2/b4-3+/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474598 (CHEMBL79702) Show SMILES Brc1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1 Show InChI InChI=1S/C14H14BrN3O/c15-14-13(10-2-1-4-16-7-10)6-12(8-18-14)19-9-11-3-5-17-11/h1-2,4,6-8,11,17H,3,5,9H2/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474592 (CHEMBL83738) Show SMILES Fc1ncc(\C=C\c2cc(OC[C@@H]3CCN3)cnc2Cl)cc1Br Show InChI InChI=1S/C16H14BrClFN3O/c17-14-5-10(7-22-16(14)19)1-2-11-6-13(8-21-15(11)18)23-9-12-3-4-20-12/h1-2,5-8,12,20H,3-4,9H2/b2-1+/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474585 (CHEMBL312132) Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1 Show InChI InChI=1S/C14H14ClN3O/c15-14-13(10-2-1-4-16-7-10)6-12(8-18-14)19-9-11-3-5-17-11/h1-2,4,6-8,11,17H,3,5,9H2/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450722 (CHEMBL94843) Show SMILES Clc1ncccc1OC[C@@H]1CCN1 Show InChI InChI=1S/C9H11ClN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain				J Med Chem 41: 3690-8 (1998) Article DOI: 10.1021/jm980170a BindingDB Entry DOI: 10.7270/Q2HM59ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143320 ((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...) Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain				J Med Chem 41: 3690-8 (1998) Article DOI: 10.1021/jm980170a BindingDB Entry DOI: 10.7270/Q2HM59ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474590 (CHEMBL309292) Show SMILES Fc1ccnc[n+]1-c1cc(OC[C@@H]2CCN2)cnc1Cl Show InChI InChI=1S/C13H13ClFN4O/c14-13-11(19-8-16-3-2-12(19)15)5-10(6-18-13)20-7-9-1-4-17-9/h2-3,5-6,8-9,17H,1,4,7H2/q+1/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50114773 (5-(Azetidin-2-ylmethoxy)-2-chloro-3-(2-pyridin-4-y...) Show SMILES Clc1ncc(OCC2CCN2)cc1\C=C\c1ccncc1 Show InChI InChI=1S/C16H16ClN3O/c17-16-13(2-1-12-3-6-18-7-4-12)9-15(10-20-16)21-11-14-5-8-19-14/h1-4,6-7,9-10,14,19H,5,8,11H2/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for nAChR with [3H]-imidacloprid in Drosophila				J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50263171 ((+)-2-(6'-[18F]fluoro-3,3'-bipyridin-5-yl)-7-methy...) Show SMILES CN1C2CCC1C(C2)c1cncc(c1)-c1ccc(F)nc1 |TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-3-4-16(21)15(7-14)13-6-12(8-19-9-13)11-2-5-17(18)20-10-11/h2,5-6,8-10,14-16H,3-4,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells				J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474586 (CHEMBL80040) Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1\C=C\c1ccncc1 Show InChI InChI=1S/C16H16ClN3O/c17-16-13(2-1-12-3-6-18-7-4-12)9-15(10-20-16)21-11-14-5-8-19-14/h1-4,6-7,9-10,14,19H,5,8,11H2/b2-1+/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474588 (CHEMBL310197) Show SMILES Fc1cc(\C=C\c2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 Show InChI InChI=1S/C17H17ClFN3O/c18-17-13(4-3-12-5-7-21-16(19)8-12)9-15(10-22-17)23-11-14-2-1-6-20-14/h3-5,7-10,14,20H,1-2,6,11H2/b4-3+/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for nAChR with [3H]-imidacloprid in Myzus persicae				J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50049750 ((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...) Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50049750 ((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...) Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50263171 ((+)-2-(6'-[18F]fluoro-3,3'-bipyridin-5-yl)-7-methy...) Show SMILES CN1C2CCC1C(C2)c1cncc(c1)-c1ccc(F)nc1 |TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-3-4-16(21)15(7-14)13-6-12(8-19-9-13)11-2-5-17(18)20-10-11/h2,5-6,8-10,14-16H,3-4,7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells				J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50114771 (2-Chloro-3-(2-pyridin-4-yl-ethyl)-5-(pyrrolidin-2-...) Show SMILES Clc1ncc(OCC2CCCN2)cc1CCc1ccncc1 Show InChI InChI=1S/C17H20ClN3O/c18-17-14(4-3-13-5-8-19-9-6-13)10-16(11-21-17)22-12-15-2-1-7-20-15/h5-6,8-11,15,20H,1-4,7,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes				J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain				J Med Chem 41: 3690-8 (1998) Article DOI: 10.1021/jm980170a BindingDB Entry DOI: 10.7270/Q2HM59ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474597 (CHEMBL83608) Show SMILES Ic1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1 Show InChI InChI=1S/C14H14IN3O/c15-14-13(10-2-1-4-16-7-10)6-12(8-18-14)19-9-11-3-5-17-11/h1-2,4,6-8,11,17H,3,5,9H2/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50114774 (2-Chloro-3-(2-pyridin-4-yl-vinyl)-5-(pyrrolidin-2-...) Show SMILES Clc1ncc(OCC2CCCN2)cc1\C=C\c1ccncc1 Show InChI InChI=1S/C17H18ClN3O/c18-17-14(4-3-13-5-8-19-9-6-13)10-16(11-21-17)22-12-15-2-1-7-20-15/h3-6,8-11,15,20H,1-2,7,12H2/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for nAChR with [3H]-imidacloprid in Drosophila				J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50263095 ((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...) Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells				J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50049750 ((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...) Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain				J Med Chem 41: 3690-8 (1998) Article DOI: 10.1021/jm980170a BindingDB Entry DOI: 10.7270/Q2HM59ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474581 (CHEMBL83986) Show SMILES Fc1ccc(cn1)-c1cc(OC[C@@H]2CCCN2)cnc1Cl Show InChI InChI=1S/C15H15ClFN3O/c16-15-13(10-3-4-14(17)19-7-10)6-12(8-20-15)21-9-11-2-1-5-18-11/h3-4,6-8,11,18H,1-2,5,9H2/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50263095 ((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...) Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells				J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50100712 (2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...) Show SMILES Ic1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13IN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474580 (CHEMBL84154) Show SMILES Clc1ncc(OC[C@@H]2CCCN2)cc1-c1ccc(Br)nc1 Show InChI InChI=1S/C15H15BrClN3O/c16-14-4-3-10(7-19-14)13-6-12(8-20-15(13)17)21-9-11-2-1-5-18-11/h3-4,6-8,11,18H,1-2,5,9H2/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6 (Rattus norvegicus)	BDBM50263130 ((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-3-yl)-5'-p...) Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccnc1F |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-13-4-5-16(21)15(8-13)12-7-11(9-19-10-12)14-3-2-6-20-17(14)18/h2-3,6-7,9-10,13,15-16H,4-5,8H2,1H3/t13-,15-,16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha6beta2 nAChR expressed in HEK293 cells				J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450731 (CHEMBL96733) Show SMILES Brc1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11BrN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain				J Med Chem 41: 3690-8 (1998) Article DOI: 10.1021/jm980170a BindingDB Entry DOI: 10.7270/Q2HM59ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50474599 (CHEMBL79737) Show SMILES Clc1ncc(OC[C@@H]2CCCN2)cc1-c1cccnc1 Show InChI InChI=1S/C15H16ClN3O/c16-15-14(11-3-1-5-17-8-11)7-13(9-19-15)20-10-12-4-2-6-18-12/h1,3,5,7-9,12,18H,2,4,6,10H2/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature				J Med Chem 47: 2453-65 (2004) Article DOI: 10.1021/jm030432v BindingDB Entry DOI: 10.7270/Q21C20MJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50295954 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 |r| Show InChI InChI=1S/C17H19ClFN3O2/c1-22-6-2-3-13(22)11-23-14-8-15(17(18)21-9-14)24-10-12-4-5-20-16(19)7-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50114768 (2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-...) Show SMILES CN1CCCC1COc1cnc(Cl)c(CCc2ccncc2)c1 Show InChI InChI=1S/C18H22ClN3O/c1-22-10-2-3-16(22)13-23-17-11-15(18(19)21-12-17)5-4-14-6-8-20-9-7-14/h6-9,11-12,16H,2-5,10,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes				J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells				J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450719 (CHEMBL318121) Show SMILES Fc1ccc(OC[C@@H]2CCN2)cn1 Show InChI InChI=1S/C9H11FN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain				J Med Chem 41: 3690-8 (1998) Article DOI: 10.1021/jm980170a BindingDB Entry DOI: 10.7270/Q2HM59ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450743 (CHEMBL96527) Show SMILES Fc1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11FN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain				J Med Chem 41: 3690-8 (1998) Article DOI: 10.1021/jm980170a BindingDB Entry DOI: 10.7270/Q2HM59ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295959 ((S)-2-chloro-5-((1-methylpyrrolidin-2-yl)methoxy)-...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(\C=C\c2ccncc2)c1 |r| Show InChI InChI=1S/C18H20ClN3O/c1-22-10-2-3-16(22)13-23-17-11-15(18(19)21-12-17)5-4-14-6-8-20-9-7-14/h4-9,11-12,16H,2-3,10,13H2,1H3/b5-4+/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]5-A-85380 from alpha4beta2 nicotinic receptor in rat brain				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair

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