Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'xiao' and Initial = 'yd'   

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))	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	0.200	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 to alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50135597 (2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...) Show SMILES C1CC2NC1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0| Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	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 to alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397901 (CHEMBL2179965) Show SMILES O=C(C1CC1)N1C[C@@H]2CN[C@H](C2)C1 |r| Show InChI InChI=1S/C10H16N2O/c13-10(8-1-2-8)12-5-7-3-9(6-12)11-4-7/h7-9,11H,1-6H2/t7-,9+/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	1	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397903 (CHEMBL2179962) Show SMILES O=C(C1CC1)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C11H18N2O/c14-11(10-1-2-10)13-6-8-3-9(7-13)5-12-4-8/h8-10,12H,1-7H2	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	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50023330 (1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...) Show SMILES CC(=O)C1=CCCC2CCC1N2 |t:3,THB:1:3:11:9.8| Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	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 to alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397888 (CHEMBL2179531) Show SMILES Clc1ccoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13ClN2O2/c12-9-1-2-16-10(9)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	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	2	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397942 (CHEMBL2179534) Show SMILES Brc1ccoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13BrN2O2/c12-9-1-2-16-10(9)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	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	2	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					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	2	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397943 (CHEMBL2179959) Show SMILES C1CN2CCC1\C(C2)=C\c1cccnc1 |(25.06,-6.85,;25.06,-8.39,;26.39,-9.15,;27.1,-7.8,;25.61,-7.4,;26.39,-6.07,;27.72,-6.85,;27.72,-8.39,;29.06,-6.08,;30.39,-6.85,;31.72,-6.09,;33.06,-6.85,;33.07,-8.4,;31.73,-9.17,;30.39,-8.4,)| Show InChI InChI=1S/C13H16N2/c1-2-11(9-14-5-1)8-13-10-15-6-3-12(13)4-7-15/h1-2,5,8-9,12H,3-4,6-7,10H2/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	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]methylcarbamylcholine from alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50084054 (6'-Chloro-1-methyl-1,2,5,6-tetrahydro-[3,3']bipyri...) Show SMILES CN1CCC=C(C1)c1ccc(Cl)nc1 |c:4| Show InChI InChI=1S/C11H13ClN2/c1-14-6-2-3-10(8-14)9-4-5-11(12)13-7-9/h3-5,7H,2,6,8H2,1H3	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	2.20	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 to alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397929 (CHEMBL2179547) Show SMILES Brc1coc(c1)C(=O)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C12H15BrN2O2/c13-10-2-11(17-7-10)12(16)15-5-8-1-9(6-15)4-14-3-8/h2,7-9,14H,1,3-6H2	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	3	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397936 (CHEMBL2179540) Show SMILES Fc1ccc(o1)C(=O)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C12H15FN2O2/c13-11-2-1-10(17-11)12(16)15-6-8-3-9(7-15)5-14-4-8/h1-2,8-9,14H,3-7H2	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	3	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397904 (CHEMBL2179961) Show SMILES O=C(C1CC1)N1CC2CNCC2C1 Show InChI InChI=1S/C10H16N2O/c13-10(7-1-2-7)12-5-8-3-11-4-9(8)6-12/h7-9,11H,1-6H2	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	4	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397901 (CHEMBL2179965) Show SMILES O=C(C1CC1)N1C[C@@H]2CN[C@H](C2)C1 |r| Show InChI InChI=1S/C10H16N2O/c13-10(8-1-2-8)12-5-7-3-9(6-12)11-4-7/h7-9,11H,1-6H2/t7-,9+/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	4	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397932 (CHEMBL2179544) Show SMILES Clc1coc(c1)C(=O)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C12H15ClN2O2/c13-10-2-11(17-7-10)12(16)15-5-8-1-9(6-15)4-14-3-8/h2,7-9,14H,1,3-6H2	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	5	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397919 (CHEMBL2179557) Show SMILES Fc1ccc(o1)C(=O)N1C[C@@H]2CN[C@H](C2)C1 |r| Show InChI InChI=1S/C11H13FN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-8(6-14)13-4-7/h1-2,7-8,13H,3-6H2/t7-,8+/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	5	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397933 (CHEMBL2179543) Show SMILES Clc1ccc(o1)C(=O)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C12H15ClN2O2/c13-11-2-1-10(17-11)12(16)15-6-8-3-9(7-15)5-14-4-8/h1-2,8-9,14H,3-7H2	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	5	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50284016 (1-(1-Methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-propa...) Show SMILES CCC(=O)C1=CCCN(C)C1 |t:4| Show InChI InChI=1S/C9H15NO/c1-3-9(11)8-5-4-6-10(2)7-8/h5H,3-4,6-7H2,1-2H3	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	5.80	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 to alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397902 (CHEMBL2179964) Show SMILES O=C(C1CC1)N1C[C@H]2CN[C@@H](C2)C1 |r| Show InChI InChI=1S/C10H16N2O/c13-10(8-1-2-8)12-5-7-3-9(6-12)11-4-7/h7-9,11H,1-6H2/t7-,9+/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	7	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397913 (CHEMBL2179516) Show SMILES Cc1ncoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H15N3O2/c1-7-10(16-6-13-7)11(15)14-4-8-2-12-3-9(8)5-14/h6,8-9,12H,2-5H2,1H3	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	8	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397927 (CHEMBL2179549) Show SMILES O=C(N1CC2CNCC(C2)C1)c1ccc(o1)C#N Show InChI InChI=1S/C13H15N3O2/c14-4-11-1-2-12(18-11)13(17)16-7-9-3-10(8-16)6-15-5-9/h1-2,9-10,15H,3,5-8H2	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	8	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397893 (CHEMBL2179526) Show SMILES Fc1ccc(o1)C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13FN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	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	8	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397918 (CHEMBL2179558) Show SMILES Brc1ccc(o1)C(=O)N1C[C@@H]2CN[C@H](C2)C1 |r| Show InChI InChI=1S/C11H13BrN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-8(6-14)13-4-7/h1-2,7-8,13H,3-6H2/t7-,8+/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	9	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397889 (CHEMBL2179530) Show SMILES Clc1coc(c1)C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13ClN2O2/c12-9-1-10(16-6-9)11(15)14-4-7-2-13-3-8(7)5-14/h1,6-8,13H,2-5H2	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	11	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397905 (CHEMBL1876219) Show SMILES CCOc1cncc(\C=C\CCNC)c1 Show InChI InChI=1S/C12H18N2O/c1-3-15-12-8-11(9-14-10-12)6-4-5-7-13-2/h4,6,8-10,13H,3,5,7H2,1-2H3/b6-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397922 (CHEMBL2179554) Show SMILES Fc1ccc(o1)C(=O)N1C[C@H]2CN[C@@H](C2)C1 |r| Show InChI InChI=1S/C11H13FN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-8(6-14)13-4-7/h1-2,7-8,13H,3-6H2/t7-,8+/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	12	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397897 (CHEMBL2179970) Show SMILES O=C(N1C[C@@H]2CN[C@H](C2)C1)c1ccco1 |r| Show InChI InChI=1S/C11H14N2O2/c14-11(10-2-1-3-15-10)13-6-8-4-9(7-13)12-5-8/h1-3,8-9,12H,4-7H2/t8-,9+/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	13	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397939 (CHEMBL2179537) Show SMILES O=C(N1CC2CNCC2C1)c1occc1C#N Show InChI InChI=1S/C12H13N3O2/c13-3-8-1-2-17-11(8)12(16)15-6-9-4-14-5-10(9)7-15/h1-2,9-10,14H,4-7H2	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	13	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397947 (CHEMBL2179960) Show SMILES CC(=O)C=C1CN2CCC1CC2 |w:3.2,(15.93,-15.9,;14.6,-16.66,;14.59,-18.21,;13.26,-15.89,;11.92,-16.66,;11.92,-18.2,;10.59,-18.96,;9.26,-18.2,;9.26,-16.66,;10.59,-15.88,;9.81,-17.21,;11.3,-17.61,)| Show InChI InChI=1S/C10H15NO/c1-8(12)6-10-7-11-4-2-9(10)3-5-11/h6,9H,2-5,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	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 to human alpha4beta2 nAChR expressed in xenopus oocyte				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397931 (CHEMBL2179545) Show SMILES Clc1ccoc1C(=O)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C12H15ClN2O2/c13-10-1-2-17-11(10)12(16)15-6-8-3-9(7-15)5-14-4-8/h1-2,8-9,14H,3-7H2	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	15	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397898 (CHEMBL2179969) Show SMILES O=C(N1C[C@H]2CN[C@@H](C2)C1)c1ccco1 |r| Show InChI InChI=1S/C11H14N2O2/c14-11(10-2-1-3-15-10)13-6-8-4-9(7-13)12-5-8/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 PC cid PC sid UniChem Similars	Article PubMed	15	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397921 (CHEMBL2179555) Show SMILES Clc1ccc(o1)C(=O)N1C[C@H]2CN[C@@H](C2)C1 |r| Show InChI InChI=1S/C11H13ClN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-8(6-14)13-4-7/h1-2,7-8,13H,3-6H2/t7-,8+/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	16	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397886 (CHEMBL2179533) Show SMILES Brc1coc(c1)C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13BrN2O2/c12-9-1-10(16-6-9)11(15)14-4-7-2-13-3-8(7)5-14/h1,6-8,13H,2-5H2	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	16	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397908 (CHEMBL2179521) Show SMILES O=C(N1CC2CNCC2C1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H20N2O2/c22-19(21-12-15-10-20-11-16(15)13-21)14-6-8-18(9-7-14)23-17-4-2-1-3-5-17/h1-9,15-16,20H,10-13H2	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	19	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397917 (CHEMBL2179559) Show SMILES O=C(N1CC2CNCC2C1)c1ccoc1 Show InChI InChI=1S/C11H14N2O2/c14-11(8-1-2-15-7-8)13-5-9-3-12-4-10(9)6-13/h1-2,7,9-10,12H,3-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	19	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50397903 (CHEMBL2179962) Show SMILES O=C(C1CC1)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C11H18N2O/c14-11(10-1-2-10)13-6-8-3-9(7-13)5-12-4-8/h8-10,12H,1-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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]epibatidine from human alpha7 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397899 (CHEMBL2179967) Show SMILES O=C(N1CC2CNCC(C2)C1)c1ccco1 Show InChI InChI=1S/C12H16N2O2/c15-12(11-2-1-3-16-11)14-7-9-4-10(8-14)6-13-5-9/h1-3,9-10,13H,4-8H2	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	20	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397935 (CHEMBL2179541) Show SMILES Fc1coc(c1)C(=O)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C12H15FN2O2/c13-10-2-11(17-7-10)12(16)15-5-8-1-9(6-15)4-14-3-8/h2,7-9,14H,1,3-6H2	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	22	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397891 (CHEMBL2179528) Show SMILES Fc1ccoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13FN2O2/c12-9-1-2-16-10(9)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	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	23	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397928 (CHEMBL2179548) Show SMILES Brc1ccoc1C(=O)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C12H15BrN2O2/c13-10-1-2-17-11(10)12(16)15-6-8-3-9(7-15)5-14-4-8/h1-2,8-9,14H,3-7H2	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	23	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397897 (CHEMBL2179970) Show SMILES O=C(N1C[C@@H]2CN[C@H](C2)C1)c1ccco1 |r| Show InChI InChI=1S/C11H14N2O2/c14-11(10-2-1-3-15-10)13-6-8-4-9(7-13)12-5-8/h1-3,8-9,12H,4-7H2/t8-,9+/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	24	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397945 (CHEMBL2179958) Show SMILES CN[C@@H](C)C\C=C\c1cccnc1 |r| Show InChI InChI=1S/C11H16N2/c1-10(12-2)5-3-6-11-7-4-8-13-9-11/h3-4,6-10,12H,5H2,1-2H3/b6-3+/t10-/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 Similars	Article PubMed	24	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 to alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397909 (CHEMBL2179520) Show SMILES COc1ccc(cc1)C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C14H18N2O2/c1-18-13-4-2-10(3-5-13)14(17)16-8-11-6-15-7-12(11)9-16/h2-5,11-12,15H,6-9H2,1H3	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	26	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397930 (CHEMBL2179546) Show SMILES Brc1ccc(o1)C(=O)N1CC2CNCC(C2)C1 Show InChI InChI=1S/C12H15BrN2O2/c13-11-2-1-10(17-11)12(16)15-6-8-3-9(7-15)5-14-4-8/h1-2,8-9,14H,3-7H2	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	26	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397940 (CHEMBL2179536) Show SMILES O=C(N1CC2CNCC2C1)c1cc(co1)C#N Show InChI InChI=1S/C12H13N3O2/c13-2-8-1-11(17-7-8)12(16)15-5-9-3-14-4-10(9)6-15/h1,7,9-10,14H,3-6H2	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	27	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397890 (CHEMBL2179529) Show SMILES Clc1ccc(o1)C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13ClN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2	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	30	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397894 (CHEMBL2179525) Show SMILES O=C(N1CC2CNC(C2)C1)c1ccncc1 Show InChI InChI=1S/C12H15N3O/c16-12(10-1-3-13-4-2-10)15-7-9-5-11(8-15)14-6-9/h1-4,9,11,14H,5-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397892 (CHEMBL2179527) Show SMILES Fc1coc(c1)C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C11H13FN2O2/c12-9-1-10(16-6-9)11(15)14-4-7-2-13-3-8(7)5-14/h1,6-8,13H,2-5H2	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	32	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397937 (CHEMBL2179539) Show SMILES Cc1ccoc1C(=O)N1CC2CNCC2C1 Show InChI InChI=1S/C12H16N2O2/c1-8-2-3-16-11(8)12(15)14-6-9-4-13-5-10(9)7-14/h2-3,9-10,13H,4-7H2,1H3	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	32	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397900 (CHEMBL2179966) Show SMILES O=C(N1CC2CNCC2C1)c1ccco1 Show InChI InChI=1S/C11H14N2O2/c14-11(10-2-1-3-15-10)13-6-8-4-12-5-9(8)7-13/h1-3,8-9,12H,4-7H2	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	33	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 alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair

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