Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50037598   

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 (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))	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))	BDBM50174148 (5-methyl-7-oxa-6,13-diazatetracyclo[9.3.1.02,10.04...) Show SMILES Cc1noc2cc3C4CC(CNC4)c3cc12 Show InChI InChI=1S/C13H14N2O/c1-7-10-3-11-8-2-9(6-14-5-8)12(11)4-13(10)16-15-7/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	0.130	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))	BDBM50174154 (7-phenyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...) Show SMILES C1C2CNCC1c1cc3n(cnc3cc21)-c1ccccc1 Show InChI InChI=1S/C18H17N3/c1-2-4-14(5-3-1)21-11-20-17-7-15-12-6-13(10-19-9-12)16(15)8-18(17)21/h1-5,7-8,11-13,19H,6,9-10H2	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	0.140	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))	BDBM50174190 (6-methyl-7-oxa-5,13-diazatetracyclo[9.3.1.02,10.04...) Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2o1 Show InChI InChI=1S/C13H14N2O/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 Similars	Article PubMed	0.150	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))	BDBM50174156 (5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca...) Show SMILES C1C2CNCC1c1cc3[nH]cnc3cc21 Show InChI InChI=1S/C12H13N3/c1-7-4-13-5-8(1)10-3-12-11(2-9(7)10)14-6-15-12/h2-3,6-8,13H,1,4-5H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	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))	BDBM50174170 (7-oxa-5,13-diazatetracyclo[9.3.1.02,10.04,8]pentad...) Show SMILES C1C2CNCC1c1cc3ocnc3cc21 Show InChI InChI=1S/C12H12N2O/c1-7-4-13-5-8(1)10-3-12-11(2-9(7)10)14-6-15-12/h2-3,6-8,13H,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	0.160	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))	BDBM50174141 (1-(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-tr...) Show SMILES CC(=O)c1ccc2C3CC(CNC3)c2c1 Show InChI InChI=1S/C13H15NO/c1-8(15)9-2-3-12-10-4-11(7-14-6-10)13(12)5-9/h2-3,5,10-11,14H,4,6-7H2,1H3	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	0.170	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))	BDBM50174163 (6-methyl-7-propyl-5,7,13-triazatetracyclo[9.3.1.02...) Show SMILES CCCn1c(C)nc2cc3C4CC(CNC4)c3cc12 Show InChI InChI=1S/C16H21N3/c1-3-4-19-10(2)18-15-6-13-11-5-12(9-17-8-11)14(13)7-16(15)19/h6-7,11-12,17H,3-5,8-9H2,1-2H3	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	0.190	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))	BDBM50174147 (7-butyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]p...) Show SMILES CCCCn1cnc2cc3C4CC(CNC4)c3cc12 Show InChI InChI=1S/C16H21N3/c1-2-3-4-19-10-18-15-6-13-11-5-12(9-17-8-11)14(13)7-16(15)19/h6-7,10-12,17H,2-5,8-9H2,1H3	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	0.200	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))	BDBM50174144 (4-Chloro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),...) Show SMILES Clc1ccc2C3CC(CNC3)c2c1 Show InChI InChI=1S/C11H12ClN/c12-9-1-2-10-7-3-8(6-13-5-7)11(10)4-9/h1-2,4,7-8,13H,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 Patents Similars	Article PubMed	0.200	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))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.230	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))	BDBM50174142 (7-isobutyl-6-methyl-5,7,13-triazatetracyclo[9.3.1....) Show SMILES CC(C)Cn1c(C)nc2cc3C4CC(CNC4)c3cc12 Show InChI InChI=1S/C17H23N3/c1-10(2)9-20-11(3)19-16-5-14-12-4-13(8-18-7-12)15(14)6-17(16)20/h5-6,10,12-13,18H,4,7-9H2,1-3H3	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	0.280	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))	BDBM50174158 (4,5-Difluoro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2...) Show SMILES Fc1cc2C3CC(CNC3)c2cc1F Show InChI InChI=1S/C11H11F2N/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	0.280	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))	BDBM50174176 (7-isobutyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,...) Show SMILES CC(C)Cn1cnc2cc3C4CC(CNC4)c3cc12 Show InChI InChI=1S/C16H21N3/c1-10(2)8-19-9-18-15-4-13-11-3-12(7-17-6-11)14(13)5-16(15)19/h4-5,9-12,17H,3,6-8H2,1-2H3	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	0.300	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))	BDBM50174180 (6,7-dimethyl-5,7,13-triazatetracyclo[9.3.1.02,10.0...) Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2n1C Show InChI InChI=1S/C14H17N3/c1-8-16-13-4-11-9-3-10(7-15-6-9)12(11)5-14(13)17(8)2/h4-5,9-10,15H,3,6-7H2,1-2H3	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	0.310	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))	BDBM50174183 (4-Trifluoromethyl-10-aza-tricyclo[6.3.1.0*2,7*]dod...) Show SMILES FC(F)(F)c1ccc2C3CC(CNC3)c2c1 Show InChI InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2	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	0.330	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))	BDBM50174177 (7-propyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...) Show SMILES CCCn1cnc2cc3C4CC(CNC4)c3cc12 Show InChI InChI=1S/C15H19N3/c1-2-3-18-9-17-14-5-12-10-4-11(8-16-7-10)13(12)6-15(14)18/h5-6,9-11,16H,2-4,7-8H2,1H3	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	0.360	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))	BDBM50174143 (10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...) Show SMILES N#Cc1ccc2C3CC(CNC3)c2c1 Show InChI InChI=1S/C12H12N2/c13-5-8-1-2-11-9-4-10(7-14-6-9)12(11)3-8/h1-3,9-10,14H,4,6-7H2	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	0.5	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))	BDBM50174174 (6,7-dimethyl-5,8,14-triazatetracyclo[10.3.1.02,11....) Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2nc1C Show InChI InChI=1S/C15H17N3/c1-8-9(2)18-15-5-13-11-3-10(6-16-7-11)12(13)4-14(15)17-8/h4-5,10-11,16H,3,6-7H2,1-2H3	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	0.550	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))	BDBM50174155 (6-methyl-7-neopentyl-5,7,13-triazatetracyclo[9.3.1...) Show SMILES Cc1nc2cc3C4CC(CNC4)c3cc2n1CC(C)(C)C Show InChI InChI=1S/C18H25N3/c1-11-20-16-6-14-12-5-13(9-19-8-12)15(14)7-17(16)21(11)10-18(2,3)4/h6-7,12-13,19H,5,8-10H2,1-4H3	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	0.75	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))	BDBM50174164 (7-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...) Show SMILES Cn1cnc2cc3C4CC(CNC4)c3cc12 Show InChI InChI=1S/C13H15N3/c1-16-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16/h3-4,7-9,14H,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 Similars	Article PubMed	0.75	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))	BDBM50174173 (4-Fluoro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),...) Show SMILES Fc1ccc2C3CC(CNC3)c2c1 Show InChI InChI=1S/C11H12FN/c12-9-1-2-10-7-3-8(6-13-5-7)11(10)4-9/h1-2,4,7-8,13H,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 Patents Similars	Article PubMed	1.10	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))	BDBM50174193 (4-Methyl-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),...) Show SMILES Cc1ccc2C3CC(CNC3)c2c1 Show InChI InChI=1S/C12H15N/c1-8-2-3-11-9-5-10(7-13-6-9)12(11)4-8/h2-4,9-10,13H,5-7H2,1H3	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	1.60	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))	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	1.60	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))	BDBM50174178 (6-isopropyl-7-oxa-5,13-diazatetracyclo[9.3.1.02,10...) Show SMILES CC(C)c1nc2cc3C4CC(CNC4)c3cc2o1 Show InChI InChI=1S/C15H18N2O/c1-8(2)15-17-13-4-11-9-3-10(7-16-6-9)12(11)5-14(13)18-15/h4-5,8-10,16H,3,6-7H2,1-2H3	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	1.90	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))	BDBM50174188 (4-(Aziridine-1-sulfonyl)-10-aza-tricyclo[6.3.1.0*2...) Show SMILES O=S(=O)(N1CC1)c1ccc2C3CC(CNC3)c2c1 Show InChI InChI=1S/C13H16N2O2S/c16-18(17,15-3-4-15)11-1-2-12-9-5-10(8-14-7-9)13(12)6-11/h1-2,6,9-10,14H,3-5,7-8H2	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	2	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))	BDBM50174172 (10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...) Show SMILES Oc1ccc2C3CC(CNC3)c2c1 Show InChI InChI=1S/C11H13NO/c13-9-1-2-10-7-3-8(6-12-5-7)11(10)4-9/h1-2,4,7-8,12-13H,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 Patents Similars	Article PubMed	2.80	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))	BDBM50174187 (4-(Pyrrolidine-1-sulfonyl)-10-aza-tricyclo[6.3.1.0...) Show SMILES O=S(=O)(N1CCCC1)c1ccc2C3CC(CNC3)c2c1 Show InChI InChI=1S/C15H20N2O2S/c18-20(19,17-5-1-2-6-17)13-3-4-14-11-7-12(10-16-9-11)15(14)8-13/h3-4,8,11-12,16H,1-2,5-7,9-10H2	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	3.10	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-7 (Homo sapiens (Human))	BDBM50174177 (7-propyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]...) Show SMILES CCCn1cnc2cc3C4CC(CNC4)c3cc12 Show InChI InChI=1S/C15H19N3/c1-2-3-18-9-17-14-5-12-10-4-11(8-16-7-10)13(12)6-15(14)18/h5-6,9-11,16H,2-4,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	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 to human Nicotinic acetylcholine receptor alpha7 expressed in IMR32 cells using [3H]alpha-bungarotoxin				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))	BDBM50174165 (6-benzyl-7-oxa-5,13-diazatetracyclo[9.3.1.02,10.04...) Show SMILES C(c1nc2cc3C4CC(CNC4)c3cc2o1)c1ccccc1 Show InChI InChI=1S/C19H18N2O/c1-2-4-12(5-3-1)6-19-21-17-8-15-13-7-14(11-20-10-13)16(15)9-18(17)22-19/h1-5,8-9,13-14,20H,6-7,10-11H2	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	34	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))	BDBM50174196 (3-Trifluoromethyl-10-aza-tricyclo[6.3.1.0*2,7*]dod...) Show SMILES FC(F)(F)c1cccc2C3CC(CNC3)c12 Show InChI InChI=1S/C12H12F3N/c13-12(14,15)10-3-1-2-9-7-4-8(11(9)10)6-16-5-7/h1-3,7-8,16H,4-6H2	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	39	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))	BDBM50174160 (CHEMBL372431 | N-(10-Aza-tricyclo[6.3.1.0*2,7*]dod...) Show SMILES CC(=O)Nc1ccc2C3CC(CNC3)c2c1 Show InChI InChI=1S/C13H16N2O/c1-8(16)15-11-2-3-12-9-4-10(7-14-6-9)13(12)5-11/h2-3,5,9-10,14H,4,6-7H2,1H3,(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	Article PubMed	75	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))	BDBM50174151 (10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...) Show SMILES Nc1ccc2C3CC(CNC3)c2c1 Show InChI InChI=1S/C11H14N2/c12-9-1-2-10-7-3-8(6-13-5-7)11(10)4-9/h1-2,4,7-8,13H,3,5-6,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	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))	BDBM50174161 (3-Fluoro-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),...) Show SMILES Fc1cccc2C3CC(CNC3)c12 Show InChI InChI=1S/C11H12FN/c12-10-3-1-2-9-7-4-8(11(9)10)6-13-5-7/h1-3,7-8,13H,4-6H2	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	200	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))	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	240	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 to human Nicotinic acetylcholine receptor alpha4-beta2 expressed in IMR32 cells using [3H]epibatidine				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))	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	617	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 to human Nicotinic acetylcholine receptor alpha4-beta2 expressed in IMR32 cells using [3H]alpha-bungarotoxin				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-7 (Homo sapiens (Human))	BDBM50174147 (7-butyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]p...) Show SMILES CCCCn1cnc2cc3C4CC(CNC4)c3cc12 Show InChI InChI=1S/C16H21N3/c1-2-3-4-19-10-18-15-6-13-11-5-12(9-17-8-11)14(13)7-16(15)19/h6-7,10-12,17H,2-5,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	617	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 to human Nicotinic acetylcholine receptor alpha7 expressed in IMR32 cells using [3H]alpha-bungarotoxin				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-7 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	630	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 to human Nicotinic acetylcholine receptor alpha7 expressed in IMR32 cells using [3H]alpha-bungarotoxin				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-7 (Homo sapiens (Human))	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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.42E+3	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 to human Nicotinic acetylcholine receptor alpha7 expressed in IMR32 cells using [3H]alpha-bungarotoxin				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))	BDBM50174166 (3-Phenyl-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),...) Show SMILES C1C2CNCC1c1c2cccc1-c1ccccc1 Show InChI InChI=1S/C17H17N/c1-2-5-12(6-3-1)15-7-4-8-16-13-9-14(17(15)16)11-18-10-13/h1-8,13-14,18H,9-11H2	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	1.60E+3	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))	BDBM50174179 (10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...) Show SMILES Oc1cccc2C3CC(CNC3)c12 Show InChI InChI=1S/C11H13NO/c13-10-3-1-2-9-7-4-8(11(9)10)6-12-5-7/h1-3,7-8,12-13H,4-6H2	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	1.70E+3	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))	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	3.54E+3	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 to human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]alpha-bungarotoxin				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)