Compile Data Set for Download or QSAR

Found 285 hits with Last Name = 'clementi' and Initial = 'f'   

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 (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	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50110258 ((6S)-2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]n...) Show SMILES Clc1ccc(cn1)C1=CCC[C@H]2CCC1N2 |t:8,THB:4:7:15:13.12| Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2/t10-,12?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from nAChR alpha4beta2 receptor				Bioorg Med Chem Lett 22: 829-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.052 BindingDB Entry DOI: 10.7270/Q2GM87SD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin)				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin)				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50110258 ((6S)-2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]n...) Show SMILES Clc1ccc(cn1)C1=CCC[C@H]2CCC1N2 |t:8,THB:4:7:15:13.12| Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2/t10-,12?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from nAChR alpha4beta2 receptor				Bioorg Med Chem Lett 22: 829-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.052 BindingDB Entry DOI: 10.7270/Q2GM87SD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50135594 ((+/-)-2-(6-chloropyridin-3-yl)-9-aza-bicyclo[4.2.1...) Show SMILES Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15| Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50143282 ((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...) Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50261762 ((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50261762 ((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50143282 ((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...) Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50261762 ((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in rat cerebral membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50261762 ((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]cystisine from alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
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 Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membranes by beta counting				Eur J Med Chem 45: 5594-601 (2010) Article DOI: 10.1016/j.ejmech.2010.09.009 BindingDB Entry DOI: 10.7270/Q2BC3ZSJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005118 ((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279279 (1-Phenyl-3-(cytisin-12-yl)-1-propanone | CHEMBL502...) Show SMILES O=C(CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 |r| Show InChI InChI=1S/C20H22N2O2/c23-19(16-5-2-1-3-6-16)9-10-21-12-15-11-17(14-21)18-7-4-8-20(24)22(18)13-15/h1-8,15,17H,9-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50240956 ((1R,5S)-3-(3-Oxo-butyl)-1,2,3,4,5,6-hexahydro-1,5-...) Show SMILES CC(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r| Show InChI InChI=1S/C15H20N2O2/c1-11(18)5-6-16-8-12-7-13(10-16)14-3-2-4-15(19)17(14)9-12/h2-4,12-13H,5-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50116299 (CHEMBL3612360) Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r| Show InChI InChI=1S/C30H45N3O2.BrH/c1-32-19-11-13-29(32)26-12-10-21-33(24-26)20-9-7-5-3-2-4-6-8-18-31-23-28-17-15-25-14-16-27(34)22-30(25)35-28;/h10,12,14,16,21-22,24,28-29,31H,2-9,11,13,15,17-20,23H2,1H3;1H/t28?,29-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Pietro Pratesi Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane				Bioorg Med Chem Lett 19: 854-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.002 BindingDB Entry DOI: 10.7270/Q29K4B2T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279280 (1-(4-Fluorophenyl)-3-(cytisin-12-yl)-1-propanone |...) Show SMILES Fc1ccc(cc1)C(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r| Show InChI InChI=1S/C20H21FN2O2/c21-17-6-4-15(5-7-17)19(24)8-9-22-11-14-10-16(13-22)18-2-1-3-20(25)23(18)12-14/h1-7,14,16H,8-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50261762 ((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279210 (CHEMBL525735 | N-[2-(Pyridin-4-yl)ethyl]cytisine) Show SMILES O=c1cccc2[C@@H]3C[C@@H](CN(CCc4ccncc4)C3)Cn12 |r| Show InChI InChI=1S/C18H21N3O/c22-18-3-1-2-17-16-10-15(12-21(17)18)11-20(13-16)9-6-14-4-7-19-8-5-14/h1-5,7-8,15-16H,6,9-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279279 (1-Phenyl-3-(cytisin-12-yl)-1-propanone | CHEMBL502...) Show SMILES O=C(CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 |r| Show InChI InChI=1S/C20H22N2O2/c23-19(16-5-2-1-3-6-16)9-10-21-12-15-11-17(14-21)18-7-4-8-20(24)22(18)13-15/h1-8,15,17H,9-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50261766 ((+/-)-exo-(1R,2R,4R)-2-(6-chloropyridin-3-yl)-7-az...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:4:7:10.11:13| 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/t8-,9-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50240956 ((1R,5S)-3-(3-Oxo-butyl)-1,2,3,4,5,6-hexahydro-1,5-...) Show SMILES CC(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r| Show InChI InChI=1S/C15H20N2O2/c1-11(18)5-6-16-8-12-7-13(10-16)14-3-2-4-15(19)17(14)9-12/h2-4,12-13H,5-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50116300 (CHEMBL3612361) Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r| Show InChI InChI=1S/C32H49N3O2.BrH/c1-34-21-13-15-31(34)28-14-12-23-35(26-28)22-11-9-7-5-3-2-4-6-8-10-20-33-25-30-19-17-27-16-18-29(36)24-32(27)37-30;/h12,14,16,18,23-24,26,30-31,33H,2-11,13,15,17,19-22,25H2,1H3;1H/t30?,31-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]alpha-Bungarotoxin from alpha7 nAChR in rat cortical membrane				Bioorg Med Chem 18: 4498-508 (2010) Article DOI: 10.1016/j.bmc.2010.04.065 BindingDB Entry DOI: 10.7270/Q27M08XD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50135594 ((+/-)-2-(6-chloropyridin-3-yl)-9-aza-bicyclo[4.2.1...) Show SMILES Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15| Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]methyllycaconitine from nAChR alpha7 receptor				Bioorg Med Chem Lett 22: 829-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.052 BindingDB Entry DOI: 10.7270/Q2GM87SD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279280 (1-(4-Fluorophenyl)-3-(cytisin-12-yl)-1-propanone |...) Show SMILES Fc1ccc(cc1)C(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r| Show InChI InChI=1S/C20H21FN2O2/c21-17-6-4-15(5-7-17)19(24)8-9-22-11-14-10-16(13-22)18-2-1-3-20(25)23(18)12-14/h1-7,14,16H,8-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50358019 (CHEMBL1917546) Show SMILES BrC1=NOC2(C1)C[NH+]1CCC2CC1 |t:1,(-.22,2.73,;-1.69,2.25,;-2.93,3.16,;-4.18,2.25,;-3.7,.79,;-2.16,.79,;-3.7,-.75,;-5.03,-1.52,;-6.36,-.75,;-6.36,.79,;-5.03,1.56,;-5.82,.23,;-4.28,-.18,)| Show InChI InChI=1S/C9H13BrN2O/c10-8-5-9(13-11-8)6-12-3-1-7(9)2-4-12/h7H,1-6H2/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat cortical membranes by gamma counting				Eur J Med Chem 46: 5790-9 (2011) Article DOI: 10.1016/j.ejmech.2011.09.028 BindingDB Entry DOI: 10.7270/Q2QN676J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50116299 (CHEMBL3612360) Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r| Show InChI InChI=1S/C30H45N3O2.BrH/c1-32-19-11-13-29(32)26-12-10-21-33(24-26)20-9-7-5-3-2-4-6-8-18-31-23-28-17-15-25-14-16-27(34)22-30(25)35-28;/h10,12,14,16,21-22,24,28-29,31H,2-9,11,13,15,17-20,23H2,1H3;1H/t28?,29-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50358020 (CHEMBL1917547) Show SMILES COC1=NOC2(C1)C[NH+]1CCC2CC1 |t:2,(16.18,3.94,;15.86,2.43,;14.39,1.96,;13.15,2.87,;11.9,1.96,;12.38,.5,;13.92,.5,;12.37,-1.04,;11.04,-1.8,;9.71,-1.04,;9.71,.5,;11.04,1.28,;10.26,-.05,;11.8,-.47,)| Show InChI InChI=1S/C10H16N2O2/c1-13-9-6-10(14-11-9)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat cortical membranes by gamma counting				Eur J Med Chem 46: 5790-9 (2011) Article DOI: 10.1016/j.ejmech.2011.09.028 BindingDB Entry DOI: 10.7270/Q2QN676J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50116199 (CHEMBL3612359) Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r| Show InChI InChI=1S/C26H37N3O2.BrH/c1-28-15-7-9-25(28)22-8-6-17-29(20-22)16-5-3-2-4-14-27-19-24-13-11-21-10-12-23(30)18-26(21)31-24;/h6,8,10,12,17-18,20,24-25,27H,2-5,7,9,11,13-16,19H2,1H3;1H/t24?,25-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279277 (1-Phenyl-2-(cytisin-12-yl)-1-ethanone | CHEMBL5020...) Show SMILES O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 |r| Show InChI InChI=1S/C19H20N2O2/c22-18(15-5-2-1-3-6-15)13-20-10-14-9-16(12-20)17-7-4-8-19(23)21(17)11-14/h1-8,14,16H,9-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50061679 (2-Hexylaminomethyl-chroman-7-ol; oxalic acid | CHE...) Show SMILES CCCCCCNCC1CCc2ccc(O)cc2O1 Show InChI InChI=1S/C16H25NO2/c1-2-3-4-5-10-17-12-15-9-7-13-6-8-14(18)11-16(13)19-15/h6,8,11,15,17-18H,2-5,7,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50116300 (CHEMBL3612361) Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r| Show InChI InChI=1S/C32H49N3O2.BrH/c1-34-21-13-15-31(34)28-14-12-23-35(26-28)22-11-9-7-5-3-2-4-6-8-10-20-33-25-30-19-17-27-16-18-29(36)24-32(27)37-30;/h12,14,16,18,23-24,26,30-31,33H,2-11,13,15,17,19-22,25H2,1H3;1H/t30?,31-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50035398 ((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...) Show SMILES CN1CCC[C@H]1c1cc(C)no1 |r| Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membranes by beta counting				Eur J Med Chem 45: 5594-601 (2010) Article DOI: 10.1016/j.ejmech.2010.09.009 BindingDB Entry DOI: 10.7270/Q2BC3ZSJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50035398 ((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...) Show SMILES CN1CCC[C@H]1c1cc(C)no1 |r| Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6 (Chick)	BDBM50004108 ((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...) Show SMILES CN1CCCC1c1cccnc1 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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by PDSP Ki Database									Mol Pharmacol 63: 1329-37 (2003) Article DOI: 10.1124/mol.63.6.1329 BindingDB Entry DOI: 10.7270/Q29W0D27
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50035398 ((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...) Show SMILES CN1CCC[C@H]1c1cc(C)no1 |r| Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50358021 (CHEMBL1917548) Show SMILES C1C(=NOC11C[NH+]2CCC1CC2)c1ccccc1 |c:1,(30.53,-.08,;31,1.39,;29.76,2.29,;28.51,1.39,;28.99,-.08,;28.99,-1.62,;27.66,-2.38,;26.33,-1.62,;26.33,-.08,;27.66,.7,;26.87,-.63,;28.41,-1.04,;32.34,2.15,;33.67,1.37,;35,2.13,;35.01,3.67,;33.67,4.45,;32.34,3.68,)| Show InChI InChI=1S/C15H18N2O/c1-2-4-12(5-3-1)14-10-15(18-16-14)11-17-8-6-13(15)7-9-17/h1-5,13H,6-11H2/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat cortical membranes by gamma counting				Eur J Med Chem 46: 5790-9 (2011) Article DOI: 10.1016/j.ejmech.2011.09.028 BindingDB Entry DOI: 10.7270/Q2QN676J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279206 ((1R,5S)-3-Phenethyl-1,2,3,4,5,6-hexahydro-1,5-meth...) Show SMILES O=c1cccc2[C@@H]3C[C@@H](CN(CCc4ccccc4)C3)Cn12 |r| Show InChI InChI=1S/C19H22N2O/c22-19-8-4-7-18-17-11-16(13-21(18)19)12-20(14-17)10-9-15-5-2-1-3-6-15/h1-8,16-17H,9-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279333 (3-(Cytisin-12-yl)propionamide | CHEMBL483804) Show SMILES NC(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r| Show InChI InChI=1S/C14H19N3O2/c15-13(18)4-5-16-7-10-6-11(9-16)12-2-1-3-14(19)17(12)8-10/h1-3,10-11H,4-9H2,(H2,15,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279242 ((1R,5S)-3-(3-Phenyl-propyl)-1,2,3,4,5,6-hexahydro-...) Show SMILES O=c1cccc2[C@@H]3C[C@@H](CN(CCCc4ccccc4)C3)Cn12 |r| Show InChI InChI=1S/C20H24N2O/c23-20-10-4-9-19-18-12-17(14-22(19)20)13-21(15-18)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,17-18H,5,8,11-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50116197 (CHEMBL3612358) Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1 |r| Show InChI InChI=1S/C25H35N3O2.BrH/c1-27-14-6-8-24(27)21-7-5-16-28(19-21)15-4-2-3-13-26-18-23-12-10-20-9-11-22(29)17-25(20)30-23;/h5,7,9,11,16-17,19,23-24,26H,2-4,6,8,10,12-15,18H2,1H3;1H/t23?,24-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279367 ((1R,5S)-3-Pentyl-1,2,3,4,5,6-hexahydro-1,5-methano...) Show SMILES CCCCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r| Show InChI InChI=1S/C16H24N2O/c1-2-3-4-8-17-10-13-9-14(12-17)15-6-5-7-16(19)18(15)11-13/h5-7,13-14H,2-4,8-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50061652 (2-Propylaminomethyl-chroman-7-ol; oxalic acid | CH...) Show SMILES CCCNCC1CCc2ccc(O)cc2O1 Show InChI InChI=1S/C13H19NO2/c1-2-7-14-9-12-6-4-10-3-5-11(15)8-13(10)16-12/h3,5,8,12,14-15H,2,4,6-7,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50261764 ((+/-)-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[2.2....) Show SMILES Cc1cc(on1)C1=CC2CCC1N2 |t:7,THB:3:6:9.10:12| Show InChI InChI=1S/C10H12N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4-5,7,9,11H,2-3H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50279242 ((1R,5S)-3-(3-Phenyl-propyl)-1,2,3,4,5,6-hexahydro-...) Show SMILES O=c1cccc2[C@@H]3C[C@@H](CN(CCCc4ccccc4)C3)Cn12 |r| Show InChI InChI=1S/C20H24N2O/c23-20-10-4-9-19-18-12-17(14-22(19)20)13-21(15-18)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10,17-18H,5,8,11-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6 (Chick)	BDBM86240 (Alpha-Conotoxin MII | Gly-L-Cys(1)-L-Cys(2)-L-Ser-...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 Show InChI InChI=1S/C67H103N23O22S4/c1-29(2)12-35-55(100)77-34(9-10-51(96)97)54(99)80-38(15-33-20-73-28-75-33)58(103)84-41(21-91)60(105)82-39(16-48(69)93)59(104)79-36(13-30(3)4)56(101)86-43(53(71)98)23-113-115-25-45-64(109)85-42(22-92)61(106)83-40(17-49(70)94)67(112)90-11-7-8-47(90)65(110)89-52(31(5)6)66(111)88-46(26-116-114-24-44(62(107)87-45)76-50(95)18-68)63(108)81-37(57(102)78-35)14-32-19-72-27-74-32/h19-20,27-31,34-47,52,91-92H,7-18,21-26,68H2,1-6H3,(H2,69,93)(H2,70,94)(H2,71,98)(H,72,74)(H,73,75)(H,76,95)(H,77,100)(H,78,102)(H,79,104)(H,80,99)(H,81,108)(H,82,105)(H,83,106)(H,84,103)(H,85,109)(H,86,101)(H,87,107)(H,88,111)(H,89,110)(H,96,97)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by PDSP Ki Database									Mol Pharmacol 63: 1329-37 (2003) Article DOI: 10.1124/mol.63.6.1329 BindingDB Entry DOI: 10.7270/Q29W0D27
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 285 total )  |  Next  |  Last  >>

Jump to: