Compile Data Set for Download or QSAR

Found 896 hits of ki for UniProtKB: P17787   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia 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
University of California Curated by ChEMBL					Assay Description Potency to displace [3H]-Nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 immuno-isolated from M10 cells				J Med Chem 45: 2832-40 (2002) BindingDB Entry DOI: 10.7270/Q2KD1X85
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50216315 ((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...) Show SMILES Clc1ccc(cn1)N1CC2CC1CN2 |TLB:4:7:10:12.13| Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2	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	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Biomolecolare Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nAChR (unknown origin)				Eur J Med Chem 152: 401-416 (2018) Article DOI: 10.1016/j.ejmech.2018.04.026 BindingDB Entry DOI: 10.7270/Q2930WQM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50406803 (CHEMBL4168511) Show SMILES [H][C@@]12CN(c3cccnc3)[C@@]([H])(CN1)C2 |r| Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2/t8-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Istituto di Chimica Biomolecolare Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nAChR (unknown origin)				Eur J Med Chem 152: 401-416 (2018) Article DOI: 10.1016/j.ejmech.2018.04.026 BindingDB Entry DOI: 10.7270/Q2930WQM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha-4-beta-2 nAChR				J Med Chem 50: 6383-91 (2007) Article DOI: 10.1021/jm0704696 BindingDB Entry DOI: 10.7270/Q25H7HGG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50123270 (2-(5-Azido-6-chloro-pyridin-3-yl)-7-aza-bicyclo[2....) Show SMILES Clc1ncc(cc1N=[N+]=[N-])C1CC2CCC1N2 |THB:4:10:16:14.13| Show InChI InChI=1S/C11H12ClN5/c12-11-10(16-17-13)3-6(5-14-11)8-4-7-1-2-9(8)15-7/h3,5,7-9,15H,1-2,4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity to alpha4 beta2 receptor subtype from mouse fibroblast M10 cells was measured using [3 H]nicotine				Bioorg Med Chem Lett 13: 525-7 (2003) BindingDB Entry DOI: 10.7270/Q2222T4D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442922 (CHEMBL3086984) Show SMILES CN(C)c1cc(F)cc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C19H20FN3O/c1-23(2)18-8-14(7-16(20)10-18)3-4-15-9-19(12-21-11-15)24-13-17-5-6-22-17/h7-12,17,22H,5-6,13H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442927 (CHEMBL3086994) Show SMILES Fc1cccc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H15FN2O/c18-15-3-1-2-13(8-15)4-5-14-9-17(11-19-10-14)21-12-16-6-7-20-16/h1-3,8-11,16,20H,6-7,12H2/t16-/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	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK cell membranes after 4 hrs by liquid scintillation counting ...				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity to alpha4 beta2 receptor subtype from mouse fibroblast M10 cells was measured using [3 H]nicotine				Bioorg Med Chem Lett 13: 525-7 (2003) BindingDB Entry DOI: 10.7270/Q2222T4D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50079453 (2-(6-Chloro-pyridin-3-yl)-7-methyl-7-aza-bicyclo[2...) Show SMILES CN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:8:6:1:4.3,0:1:6.7:4.3| Show InChI InChI=1S/C12H15ClN2/c1-15-9-3-4-11(15)10(6-9)8-2-5-12(13)14-7-8/h2,5,7,9-11H,3-4,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha-4-beta-2 nAChR				J Med Chem 50: 6383-91 (2007) Article DOI: 10.1021/jm0704696 BindingDB Entry DOI: 10.7270/Q25H7HGG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR in human brain				J Med Chem 55: 9998-10009 (2012) Article DOI: 10.1021/jm301177j BindingDB Entry DOI: 10.7270/Q2CJ8FM1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM221048 (US9284322, varenicline | US9303017, Varenicline) Show SMILES C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method				J Med Chem 63: 2833-2853 (2020) Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...				J Med Chem 41: 407-12 (1998) Article DOI: 10.1021/jm9706224 BindingDB Entry DOI: 10.7270/Q2CJ8F56
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alpha4beta2 nicotinic acetylcholine receptor (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-005-0137-8 BindingDB Entry DOI: 10.7270/Q2H9984W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442921 (CHEMBL3086985) Show SMILES Cc1cc(F)cc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C18H17FN2O/c1-13-6-14(8-16(19)7-13)2-3-15-9-18(11-20-10-15)22-12-17-4-5-21-17/h6-11,17,21H,4-5,12H2,1H3/t17-/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	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin)				Eur J Med Chem 103: 429-37 (2015) Article DOI: 10.1016/j.ejmech.2015.09.006 BindingDB Entry DOI: 10.7270/Q2HT2R5N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Biomolecolare Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nAChR (unknown origin)				Eur J Med Chem 152: 401-416 (2018) Article DOI: 10.1016/j.ejmech.2018.04.026 BindingDB Entry DOI: 10.7270/Q2930WQM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442924 (CHEMBL3086982) Show SMILES Cc1cccc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C18H18N2O/c1-14-3-2-4-15(9-14)5-6-16-10-18(12-19-11-16)21-13-17-7-8-20-17/h2-4,9-12,17,20H,7-8,13H2,1H3/t17-/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	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442930 (CHEMBL3086991) Show SMILES C(Oc1cncc(c1)C#Cc1ccccc1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C17H16N2O/c1-2-4-14(5-3-1)6-7-15-10-17(12-18-11-15)20-13-16-8-9-19-16/h1-5,10-12,16,19H,8-9,13H2/t16-/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	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50143279 ((S)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]...) Show SMILES Clc1ccc(cn1)C1C[C@@H]2CCC1N2 |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?/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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2				Bioorg Med Chem Lett 14: 1841-4 (2004) Article DOI: 10.1016/j.bmcl.2003.07.035 BindingDB Entry DOI: 10.7270/Q2MC917Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept Inc. Curated by ChEMBL					Assay Description Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand				J Med Chem 42: 3066-74 (1999) Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA/DSV Curated by ChEMBL					Assay Description Binding affinity of the compound against human Nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 42: 2251-9 (1999) Article DOI: 10.1021/jm9910223 BindingDB Entry DOI: 10.7270/Q2FQ9VSZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442926 (CHEMBL3086995) Show SMILES Fc1cc(F)cc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H14F2N2O/c18-14-5-12(6-15(19)8-14)1-2-13-7-17(10-20-9-13)22-11-16-3-4-21-16/h5-10,16,21H,3-4,11H2/t16-/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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Critical Therapeutics, Inc. Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nAChR (unknown origin)				J Med Chem 57: 3966-83 (2014) Article DOI: 10.1021/jm5004599 BindingDB Entry DOI: 10.7270/Q2CV4K8S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50062641 (5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...) Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r| Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [125I]alpha-bungarotoxin (alpha-BgT) from K28 cells expressing human Nicotinic acetylcholine recep...				J Med Chem 41: 407-12 (1998) Article DOI: 10.1021/jm9706224 BindingDB Entry DOI: 10.7270/Q2CJ8F56
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50062641 (5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...) Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r| Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]cytisine from K177 cells expressing human Nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 41: 407-12 (1998) Article DOI: 10.1021/jm9706224 BindingDB Entry DOI: 10.7270/Q2CJ8F56
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0558	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in human K177 cell membrane incubated for 75 mins by liquid scintillation spectro...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115820 BindingDB Entry DOI: 10.7270/Q2WW7N96
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in human K177 cell membrane incubated for 75 mins by liquid scintillation spectro...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115820 BindingDB Entry DOI: 10.7270/Q2WW7N96
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50166908 (5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...) Show SMILES C1C2CNCC1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR in rat cortex				J Med Chem 56: 593-624 (2013) Article DOI: 10.1021/jm3011433 BindingDB Entry DOI: 10.7270/Q23B61GZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/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	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/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	US Patent	0.0620	-12.9	n/a	n/a	n/a	n/a	n/a	7.4	4
Georgetown University; Duke University US Patent					Assay Description Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM397477 (US9993465, Sazetidine-A) Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCO Show InChI InChI=1S/C15H20N2O2/c1-12-15(19-11-14-6-7-16-14)9-13(10-17-12)5-3-2-4-8-18/h9-10,14,16,18H,2,4,6-8,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals									Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q24T6MQ8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alpha4beta2 nicotinic acetylcholine receptor (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-005-0137-8 BindingDB Entry DOI: 10.7270/Q2H9984W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442928 (CHEMBL3086993) Show SMILES Fc1ccccc1C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H15FN2O/c18-17-4-2-1-3-14(17)6-5-13-9-16(11-19-10-13)21-12-15-7-8-20-15/h1-4,9-11,15,20H,7-8,12H2/t15-/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	0.0720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442920 (CHEMBL3086986) Show SMILES COc1cc(F)cc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C18H17FN2O2/c1-22-17-7-13(6-15(19)9-17)2-3-14-8-18(11-20-10-14)23-12-16-4-5-21-16/h6-11,16,21H,4-5,12H2,1H3/t16-/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	0.0760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50194072 (CHEMBL220476 | syn-7-(6-chloro-pyridin-3-yl)-2-aza...) Show SMILES Clc1ccc(cn1)C1C2CCC1NC2 |THB:4:7:10.9:13.12| Show InChI InChI=1S/C11H13ClN2/c12-10-4-2-8(6-14-10)11-7-1-3-9(11)13-5-7/h2,4,6-7,9,11,13H,1,3,5H2	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	0.0785	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay				Bioorg Med Chem Lett 16: 5493-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442929 (CHEMBL3086992) Show SMILES Fc1ccc(cc1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H15FN2O/c18-15-5-3-13(4-6-15)1-2-14-9-17(11-19-10-14)21-12-16-7-8-20-16/h3-6,9-11,16,20H,7-8,12H2/t16-/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	0.0830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					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))	BDBM50442923 (CHEMBL3086983) Show SMILES Clc1cccc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H15ClN2O/c18-15-3-1-2-13(8-15)4-5-14-9-17(11-19-10-14)21-12-16-6-7-20-16/h1-3,8-11,16,20H,6-7,12H2/t16-/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	0.0930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398821 (CHEMBL2177537) Show SMILES C1NC[C@H]2C[C@@H]1CC(=C2)c1cccnc1 |r,c:8| Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397944 (CHEMBL2177512) Show SMILES C1NCC2CC1CN(C2)c1cccnc1 Show InChI InChI=1S/C12H17N3/c1-2-12(7-13-3-1)15-8-10-4-11(9-15)6-14-5-10/h1-3,7,10-11,14H,4-6,8-9H2	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50174152 (4,5-Dichloro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2...) Show SMILES Clc1cc2C3CC(CNC3)c2cc1Cl Show InChI InChI=1S/C11H11Cl2N/c12-10-2-8-6-1-7(5-14-4-6)9(8)3-11(10)13/h2-3,6-7,14H,1,4-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine				Bioorg Med Chem Lett 15: 4889-97 (2005) Article DOI: 10.1016/j.bmcl.2005.08.035 BindingDB Entry DOI: 10.7270/Q2MS3TJC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50174139 (6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...) Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2[nH]1 Show InChI InChI=1S/C13H15N3/c1-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16-7/h3-4,8-9,14H,2,5-6H2,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine				Bioorg Med Chem Lett 15: 4889-97 (2005) Article DOI: 10.1016/j.bmcl.2005.08.035 BindingDB Entry DOI: 10.7270/Q2MS3TJC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50442932 (CHEMBL3086989) Show SMILES C(Oc1cncc(c1)C#Cc1ccccc1)[C@H]1CCN1 |r| Show InChI InChI=1S/C17H16N2O/c1-2-4-14(5-3-1)6-7-15-10-17(12-18-11-15)20-13-16-8-9-19-16/h1-5,10-12,16,19H,8-9,13H2/t16-/m1/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	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay				J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50166908 (5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...) Show SMILES C1C2CNCC1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine				Bioorg Med Chem Lett 15: 4889-97 (2005) Article DOI: 10.1016/j.bmcl.2005.08.035 BindingDB Entry DOI: 10.7270/Q2MS3TJC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50174145 (6-methyl-7-thia-5,13-diazatetracyclo[9.3.1.02,10.0...) Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2s1 Show InChI InChI=1S/C13H14N2S/c1-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16-7/h3-4,8-9,14H,2,5-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine				Bioorg Med Chem Lett 15: 4889-97 (2005) Article DOI: 10.1016/j.bmcl.2005.08.035 BindingDB Entry DOI: 10.7270/Q2MS3TJC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM221048 (US9284322, varenicline | US9303017, Varenicline) Show SMILES C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB US Patent	0.120	-12.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Georgetown University; Duke University US Patent					Assay Description Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
					More data for this Ligand-Target Pair				3D Structure (crystal)

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