Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'plutino' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-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+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50515333 (CHEMBL4460815) Show SMILES Fc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H17FN4O/c18-12-1-3-13(4-2-12)21-17(23)11-5-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					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 (Rattus norvegicus (Rat))	BDBM50406472 (CHEMBL4163848) Show SMILES [O-][N+](=O)c1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0225	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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 (Rattus norvegicus (Rat))	BDBM50515321 (CHEMBL4543232) Show SMILES O=C(N1CCc2ccccc2C1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21| Show InChI InChI=1S/C20H22N4O/c25-20(23-6-5-14-3-1-2-4-15(14)11-23)16-7-19(10-21-9-16)24-12-17-8-18(13-24)22-17/h1-4,7,9-10,17-18,22H,5-6,8,11-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50515320 (CHEMBL4441630) Show SMILES Clc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18| Show InChI InChI=1S/C17H17ClN4O/c18-12-2-1-3-13(5-12)21-17(23)11-4-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50515326 (CHEMBL4565381) Show SMILES Fc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:13:15:21:18| Show InChI InChI=1S/C17H17FN4O/c18-12-2-1-3-13(5-12)21-17(23)11-4-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					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 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0500	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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 (Rattus norvegicus (Rat))	BDBM50515327 (CHEMBL4556523) Show SMILES Fc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c(F)c1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H16F2N4O/c18-11-1-2-16(15(19)4-11)22-17(24)10-3-14(7-20-6-10)23-8-12-5-13(9-23)21-12/h1-4,6-7,12-13,21H,5,8-9H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50406539 (CHEMBL4175573) Show SMILES COc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:11:13:19:16| Show InChI InChI=1S/C17H20N4O/c1-22-17-4-2-12(3-5-17)19-13-7-16(9-18-8-13)21-10-14-6-15(11-21)20-14/h2-5,7-9,14-15,19-20H,6,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0598	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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 (Rattus norvegicus (Rat))	BDBM50406641 (CHEMBL4170527) Show SMILES C1C2CN(CC1N2)c1cncc(Nc2ccccc2)c1 |TLB:7:3:6:0| Show InChI InChI=1S/C26H33I2N7O2/c27-22-15-20(16-23(28)24(22)30)25(36)31-9-10-33-26(34-18-29)32-8-5-13-37-21-7-4-6-19(14-21)17-35-11-2-1-3-12-35/h4,6-7,14-16H,1-3,5,8-13,17,30H2,(H,31,36)(H2,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0807	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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 (Rattus norvegicus (Rat))	BDBM50406500 (CHEMBL4166573) Show SMILES Fc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C16H17FN4/c17-11-1-3-12(4-2-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0910	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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 (Rattus norvegicus (Rat))	BDBM50515322 (CHEMBL4444866) Show SMILES O=C(Nc1ccc2OCOc2c1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21| Show InChI InChI=1S/C18H18N4O3/c23-18(21-12-1-2-16-17(5-12)25-10-24-16)11-3-15(7-19-6-11)22-8-13-4-14(9-22)20-13/h1-3,5-7,13-14,20H,4,8-10H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50406544 (CHEMBL4174940) Show SMILES Clc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C16H17ClN4/c17-11-1-3-12(4-2-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.118	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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 (Rattus norvegicus (Rat))	BDBM50406515 (CHEMBL4161931) Show SMILES Clc1cccc(Nc2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:11:13:19:16| Show InChI InChI=1S/C16H17ClN4/c17-11-2-1-3-12(4-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.124	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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 (Rattus norvegicus (Rat))	BDBM50406685 (CHEMBL4164252) Show SMILES Cc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C19H15N7O2/c27-19(28)16-10-20-11-22-17(16)21-9-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-23-25-26-24-18/h1-8,10-11H,9H2,(H,27,28)(H,20,21,22)(H,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.148	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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-3/beta-4 (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 KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.150	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 Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes				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-3/beta-4 (Homo sapiens (Human))	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-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+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50406542 (CHEMBL4160595) 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-/m0/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	0.150	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 (Rattus norvegicus (Rat))	BDBM50515334 (CHEMBL4581470) Show SMILES O=C(N1CCCc2ccccc12)c1cncc(c1)N1CC2CC(C1)N2 |TLB:16:18:24:21| Show InChI InChI=1S/C20H22N4O/c25-20(24-7-3-5-14-4-1-2-6-19(14)24)15-8-18(11-21-10-15)23-12-16-9-17(13-23)22-16/h1-2,4,6,8,10-11,16-17,22H,3,5,7,9,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50515325 (CHEMBL4453342) Show SMILES Fc1ccccc1NC(=O)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19| Show InChI InChI=1S/C17H17FN4O/c18-15-3-1-2-4-16(15)21-17(23)11-5-14(8-19-7-11)22-9-12-6-13(10-22)20-12/h1-5,7-8,12-13,20H,6,9-10H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.315	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50406792 (CHEMBL4174509) Show SMILES Oc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C48H58N6O6/c1-3-4-5-6-13-22-43(56)53-31-35(37-20-14-15-21-41(37)53)28-38(49-42(55)29-40-48(60)54-36-25-23-34(24-26-36)44(54)46(58)51-40)45(57)50-39(27-32-16-9-7-10-17-32)47(59)52(2)30-33-18-11-8-12-19-33/h7-12,14-21,31,34,36,38-40,44H,3-6,13,22-30H2,1-2H3,(H,49,55)(H,50,57)(H,51,58)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.342	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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 (Rattus norvegicus (Rat))	BDBM50515328 (CHEMBL4435435) Show SMILES Ic1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H17IN4O/c18-12-1-3-13(4-2-12)21-17(23)11-5-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.366	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50406686 (CHEMBL4167298) Show SMILES FC(F)(F)c1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:13:15:21:18| Show InChI InChI=1S/C24H25N7O2/c1-3-4-9-21-25-14-20(24(32)33)23(26-21)31(2)15-16-10-12-17(13-11-16)18-7-5-6-8-19(18)22-27-29-30-28-22/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,32,33)(H,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.373	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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))	BDBM50406543 (CHEMBL4169986) Show SMILES C1CC2CN(CC1N2)c1cccnc1 |TLB:8:4:7:0.1| Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-5-1)14-7-9-3-4-10(8-14)13-9/h1-2,5-6,9-10,13H,3-4,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.400	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 (Rattus norvegicus (Rat))	BDBM50515324 (CHEMBL4447564) Show SMILES Clc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C17H17ClN4O/c18-12-1-3-13(4-2-12)21-17(23)11-5-16(8-19-7-11)22-9-14-6-15(10-22)20-14/h1-5,7-8,14-15,20H,6,9-10H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50515335 (CHEMBL4532589) Show SMILES COc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:14:16:22:19| Show InChI InChI=1S/C18H20N4O2/c1-24-17-4-2-3-13(7-17)21-18(23)12-5-16(9-19-8-12)22-10-14-6-15(11-22)20-14/h2-5,7-9,14-15,20H,6,10-11H2,1H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50406541 (CHEMBL4163257) Show SMILES FC(F)(F)c1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:12:15:21:18| Show InChI InChI=1S/C17H17F3N4/c18-17(19,20)11-1-3-12(4-2-11)23-16-6-5-15(8-21-16)24-9-13-7-14(10-24)22-13/h1-6,8,13-14,22H,7,9-10H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.569	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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-3/beta-4 (Homo sapiens (Human))	BDBM50406472 (CHEMBL4163848) Show SMILES [O-][N+](=O)c1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:12:14:20:17| Show InChI InChI=1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.684	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 Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes				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-3/beta-4 (Homo sapiens (Human))	BDBM50406641 (CHEMBL4170527) Show SMILES C1C2CN(CC1N2)c1cncc(Nc2ccccc2)c1 |TLB:7:3:6:0| Show InChI InChI=1S/C26H33I2N7O2/c27-22-15-20(16-23(28)24(22)30)25(36)31-9-10-33-26(34-18-29)32-8-5-13-37-21-7-4-6-19(14-21)17-35-11-2-1-3-12-35/h4,6-7,14-16H,1-3,5,8-13,17,30H2,(H,31,36)(H2,32,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.799	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 Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes				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-3/beta-4 (Homo sapiens (Human))	BDBM50406541 (CHEMBL4163257) Show SMILES FC(F)(F)c1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:12:15:21:18| Show InChI InChI=1S/C17H17F3N4/c18-17(19,20)11-1-3-12(4-2-11)23-16-6-5-15(8-21-16)24-9-13-7-14(10-24)22-13/h1-6,8,13-14,22H,7,9-10H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.818	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 Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes				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 (Rattus norvegicus (Rat))	BDBM50515332 (CHEMBL4462607) Show SMILES COc1ccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc1OC |TLB:13:15:21:18| Show InChI InChI=1S/C19H22N4O3/c1-25-17-4-3-13(7-18(17)26-2)22-19(24)12-5-16(9-20-8-12)23-10-14-6-15(11-23)21-14/h3-5,7-9,14-15,21H,6,10-11H2,1-2H3,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.828	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50406804 (CHEMBL4177192) Show SMILES Clc1ccc(cn1)N1CC2CCC(C1)N2 |TLB:4:7:14:10.11| Show InChI InChI=1S/C11H14ClN3/c12-11-4-3-10(5-13-11)15-6-8-1-2-9(7-15)14-8/h3-5,8-9,14H,1-2,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.950	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 (Rattus norvegicus (Rat))	BDBM50406804 (CHEMBL4177192) Show SMILES Clc1ccc(cn1)N1CC2CCC(C1)N2 |TLB:4:7:14:10.11| Show InChI InChI=1S/C11H14ClN3/c12-11-4-3-10(5-13-11)15-6-8-1-2-9(7-15)14-8/h3-5,8-9,14H,1-2,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain cerebral cortex membrane incubated for 75 mins by scintillation counting method				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50515331 (CHEMBL4530364) Show SMILES COc1cc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)cc(OC)c1 |TLB:12:14:20:17| Show InChI InChI=1S/C19H22N4O3/c1-25-17-5-13(6-18(7-17)26-2)22-19(24)12-3-16(9-20-8-12)23-10-14-4-15(11-23)21-14/h3,5-9,14-15,21H,4,10-11H2,1-2H3,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.985	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50406792 (CHEMBL4174509) Show SMILES Oc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C48H58N6O6/c1-3-4-5-6-13-22-43(56)53-31-35(37-20-14-15-21-41(37)53)28-38(49-42(55)29-40-48(60)54-36-25-23-34(24-26-36)44(54)46(58)51-40)45(57)50-39(27-32-16-9-7-10-17-32)47(59)52(2)30-33-18-11-8-12-19-33/h7-12,14-21,31,34,36,38-40,44H,3-6,13,22-30H2,1-2H3,(H,49,55)(H,50,57)(H,51,58)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.988	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 Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes				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-3/beta-4 (Homo sapiens (Human))	BDBM50406686 (CHEMBL4167298) Show SMILES FC(F)(F)c1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:13:15:21:18| Show InChI InChI=1S/C24H25N7O2/c1-3-4-9-21-25-14-20(24(32)33)23(26-21)31(2)15-16-10-12-17(13-11-16)18-7-5-6-8-19(18)22-27-29-30-28-22/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,32,33)(H,27,28,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Istituto di Chimica Biomolecolare Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes				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 (Rattus norvegicus (Rat))	BDBM50515329 (CHEMBL4571320) Show SMILES O=C(Nc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:13:15:21:18| Show InChI InChI=1S/C17H18N4O/c22-17(20-13-4-2-1-3-5-13)12-6-16(9-18-8-12)21-10-14-7-15(11-21)19-14/h1-6,8-9,14-15,19H,7,10-11H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50406544 (CHEMBL4174940) Show SMILES Clc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C16H17ClN4/c17-11-1-3-12(4-2-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	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 Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes				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 (Rattus norvegicus (Rat))	BDBM50406793 (CHEMBL4168267) Show SMILES Clc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1Cl |TLB:10:12:18:15| Show InChI InChI=1S/C48H50N6O7/c1-52(28-32-15-7-3-8-16-32)46(58)39(25-31-13-5-2-6-14-31)50-44(56)38(49-42(55)27-40-47(59)54-36-23-21-34(22-24-36)43(54)45(57)51-40)26-35-29-53(41-20-12-11-19-37(35)41)48(60)61-30-33-17-9-4-10-18-33/h2-20,29,34,36,38-40,43H,21-28,30H2,1H3,(H,49,55)(H,50,56)(H,51,57)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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 (Rattus norvegicus (Rat))	BDBM50515330 (CHEMBL4476500) Show SMILES CCc1cccc(NC(=O)c2cncc(c2)N2CC3CC(C2)N3)c1 |TLB:14:16:22:19| Show InChI InChI=1S/C19H22N4O/c1-2-13-4-3-5-15(6-13)22-19(24)14-7-18(10-20-9-14)23-11-16-8-17(12-23)21-16/h3-7,9-10,16-17,21H,2,8,11-12H2,1H3,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50406500 (CHEMBL4166573) Show SMILES Fc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C16H17FN4/c17-11-1-3-12(4-2-11)19-13-6-16(8-18-7-13)21-9-14-5-15(10-21)20-14/h1-4,6-8,14-15,19-20H,5,9-10H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	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 Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes				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-3/beta-4 (Homo sapiens (Human))	BDBM50406685 (CHEMBL4164252) Show SMILES Cc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:10:12:18:15| Show InChI InChI=1S/C19H15N7O2/c27-19(28)16-10-20-11-22-17(16)21-9-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18-23-25-26-24-18/h1-8,10-11H,9H2,(H,27,28)(H,20,21,22)(H,23,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	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 Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes				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 (Rattus norvegicus (Rat))	BDBM50515323 (CHEMBL4472986) Show SMILES O=C(NCc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19| Show InChI InChI=1S/C18H20N4O/c23-18(20-8-13-4-2-1-3-5-13)14-6-17(10-19-9-14)22-11-15-7-16(12-22)21-15/h1-6,9-10,15-16,21H,7-8,11-12H2,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane				Eur J Med Chem 180: 51-61 (2019) Article DOI: 10.1016/j.ejmech.2019.06.079 BindingDB Entry DOI: 10.7270/Q24Q7ZBT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50406688 (CHEMBL4166620) Show SMILES [O-][N+](=O)c1ccc(Nc2ccc(cn2)N2CC3CC(C2)N3)cc1 |TLB:11:14:20:17| Show InChI InChI=1S/C22H20N6O2/c1-2-28(21-19(22(29)30)8-5-13-23-21)14-15-9-11-16(12-10-15)17-6-3-4-7-18(17)20-24-26-27-25-20/h3-13H,2,14H2,1H3,(H,29,30)(H,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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 (Rattus norvegicus (Rat))	BDBM50406794 (CHEMBL4176763) Show SMILES CN(c1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:12:14:20:17| Show InChI InChI=1S/C75H108N20O13/c1-42(2)35-55(64(80)98)89-67(101)56(36-43(3)4)90-69(103)59(39-46-41-85-51-23-11-9-20-48(46)51)93-68(102)57(37-44-17-6-5-7-18-44)91-70(104)58(38-45-40-84-50-22-10-8-19-47(45)50)92-66(100)52(27-29-62(78)96)86-65(99)53(28-30-63(79)97)87-71(105)61-26-16-34-95(61)74(108)54(24-12-13-31-76)88-72(106)60-25-15-33-94(60)73(107)49(77)21-14-32-83-75(81)82/h5-11,17-20,22-23,40-43,49,52-61,84-85H,12-16,21,24-39,76-77H2,1-4H3,(H2,78,96)(H2,79,97)(H2,80,98)(H,86,99)(H,87,105)(H,88,106)(H,89,101)(H,90,103)(H,91,104)(H,92,100)(H,93,102)(H4,81,82,83)/t49-,52+,53+,54+,55+,56+,57+,58-,59-,60+,61+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	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 Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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 (Rattus norvegicus (Rat))	BDBM50406704 (CHEMBL4160411) Show SMILES Clc1cccc(Nc2ccc(cn2)N2CC3CC(C2)N3)c1 |TLB:10:13:19:16| Show InChI InChI=1S/C16H17ClN4/c17-11-2-1-3-12(6-11)20-16-5-4-15(8-18-16)21-9-13-7-14(10-21)19-13/h1-6,8,13-14,19H,7,9-10H2,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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
Istituto di Chimica Biomolecolare Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes				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-3/beta-4 (Homo sapiens (Human))	BDBM50406539 (CHEMBL4175573) Show SMILES COc1ccc(Nc2cncc(c2)N2CC3CC(C2)N3)cc1 |TLB:11:13:19:16| Show InChI InChI=1S/C17H20N4O/c1-22-17-4-2-12(3-5-17)19-13-7-16(9-18-8-13)21-10-14-6-15(11-21)20-14/h2-5,7-9,14-15,19-20H,6,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	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 Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes				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

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