Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50032558   

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))	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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143282 ((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...) Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331016 (6-benzyl-3-(pyridin-3-yl)-6-azabicyclo[3.2.2]non-2...) Show SMILES C(N1CC2CCC1CC(=C2)c1cccnc1)c1ccccc1 |c:9| Show InChI InChI=1S/C20H22N2/c1-2-5-16(6-3-1)14-22-15-17-8-9-20(22)12-19(11-17)18-7-4-10-21-13-18/h1-7,10-11,13,17,20H,8-9,12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha7 nAChR in rat brain membranes after 2 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331014 (9-methyl-3-(pyridin-3-yl)-9-azabicyclo[3.3.1]non-2...) Show SMILES CN1C2CCCC1C=C(C2)c1cccnc1 |c:8| Show InChI InChI=1S/C14H18N2/c1-16-13-5-2-6-14(16)9-12(8-13)11-4-3-7-15-10-11/h3-4,7-8,10,13-14H,2,5-6,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331017 (3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quino...) Show SMILES C(N1CC2CC1C=C(C2)c1cnc2ccccc2c1)c1ccccc1 |c:7,(-5.87,-18.12,;-4.53,-17.36,;-4.2,-15.8,;-2.81,-15.04,;-2.88,-13.53,;-3.47,-16.6,;-1.98,-16.53,;-.9,-17.3,;-1.29,-15.71,;.43,-18.07,;.43,-19.61,;1.77,-20.38,;3.1,-19.6,;4.43,-20.37,;5.77,-19.6,;5.76,-18.05,;4.42,-17.29,;3.1,-18.06,;1.76,-17.3,;-7.2,-17.34,;-7.18,-15.8,;-8.51,-15.02,;-9.85,-15.78,;-9.86,-17.33,;-8.53,-18.1,)| Show InChI InChI=1S/C23H22N2/c1-2-6-17(7-3-1)15-25-16-18-10-20(13-22(25)11-18)21-12-19-8-4-5-9-23(19)24-14-21/h1-9,12-14,18,22H,10-11,15-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	29.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331016 (6-benzyl-3-(pyridin-3-yl)-6-azabicyclo[3.2.2]non-2...) Show SMILES C(N1CC2CCC1CC(=C2)c1cccnc1)c1ccccc1 |c:9| Show InChI InChI=1S/C20H22N2/c1-2-5-16(6-3-1)14-22-15-17-8-9-20(22)12-19(11-17)18-7-4-10-21-13-18/h1-7,10-11,13,17,20H,8-9,12,14-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50143282 ((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...) Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331014 (9-methyl-3-(pyridin-3-yl)-9-azabicyclo[3.3.1]non-2...) Show SMILES CN1C2CCCC1C=C(C2)c1cccnc1 |c:8| Show InChI InChI=1S/C14H18N2/c1-16-13-5-2-6-14(16)9-12(8-13)11-4-3-7-15-10-11/h3-4,7-8,10,13-14H,2,5-6,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331012 (1-(9-azabicyclo[3.3.1]nonan-3-yl)indolin-2-one | C...) Show SMILES O=C1Cc2ccccc2N1C1CC2CCCC(C1)N2 |THB:9:10:18:13.15.14| Show InChI InChI=1S/C16H20N2O/c19-16-8-11-4-1-2-7-15(11)18(16)14-9-12-5-3-6-13(10-14)17-12/h1-2,4,7,12-14,17H,3,5-6,8-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	422	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331015 (3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)quino...) Show SMILES CN1C2CCCC1C=C(C2)c1cnc2ccccc2c1 |c:8| Show InChI InChI=1S/C18H20N2/c1-20-16-6-4-7-17(20)11-14(10-16)15-9-13-5-2-3-8-18(13)19-12-15/h2-3,5,8-10,12,16-17H,4,6-7,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	423	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50331016 (6-benzyl-3-(pyridin-3-yl)-6-azabicyclo[3.2.2]non-2...) Show SMILES C(N1CC2CCC1CC(=C2)c1cccnc1)c1ccccc1 |c:9| Show InChI InChI=1S/C20H22N2/c1-2-5-16(6-3-1)14-22-15-17-8-9-20(22)12-19(11-17)18-7-4-10-21-13-18/h1-7,10-11,13,17,20H,8-9,12,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	424	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha7 nAChR in rat brain membranes after 2 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	481	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	508	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331018 (1-(6-benzyl-6-azabicyclo[3.2.1]octan-3-yl)indolin-...) Show SMILES O=C1Cc2ccccc2N1C1CC2CC(C1)N(Cc1ccccc1)C2 Show InChI InChI=1S/C22H24N2O/c25-22-12-18-8-4-5-9-21(18)24(22)20-11-17-10-19(13-20)23(15-17)14-16-6-2-1-3-7-16/h1-9,17,19-20H,10-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331017 (3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quino...) Show SMILES C(N1CC2CC1C=C(C2)c1cnc2ccccc2c1)c1ccccc1 |c:7,(-5.87,-18.12,;-4.53,-17.36,;-4.2,-15.8,;-2.81,-15.04,;-2.88,-13.53,;-3.47,-16.6,;-1.98,-16.53,;-.9,-17.3,;-1.29,-15.71,;.43,-18.07,;.43,-19.61,;1.77,-20.38,;3.1,-19.6,;4.43,-20.37,;5.77,-19.6,;5.76,-18.05,;4.42,-17.29,;3.1,-18.06,;1.76,-17.3,;-7.2,-17.34,;-7.18,-15.8,;-8.51,-15.02,;-9.85,-15.78,;-9.86,-17.33,;-8.53,-18.1,)| Show InChI InChI=1S/C23H22N2/c1-2-6-17(7-3-1)15-25-16-18-10-20(13-22(25)11-18)21-12-19-8-4-5-9-23(19)24-14-21/h1-9,12-14,18,22H,10-11,15-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331015 (3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)quino...) Show SMILES CN1C2CCCC1C=C(C2)c1cnc2ccccc2c1 |c:8| Show InChI InChI=1S/C18H20N2/c1-20-16-6-4-7-17(20)11-14(10-16)15-9-13-5-2-3-8-18(13)19-12-15/h2-3,5,8-10,12,16-17H,4,6-7,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331010 (1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indolin-...) Show SMILES CN1C2CCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:9:7:1:3.4| Show InChI InChI=1S/C16H20N2O/c1-17-12-6-7-13(17)10-14(9-12)18-15-5-3-2-4-11(15)8-16(18)19/h2-5,12-14H,6-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331013 (CHEMBL1276233 | ethyl 3-(pyridin-3-yl)-9-azabicycl...) Show SMILES CCOC(=O)N1C2CCCC1C=C(C2)c1cccnc1 |c:12| Show InChI InChI=1S/C16H20N2O2/c1-2-20-16(19)18-14-6-3-7-15(18)10-13(9-14)12-5-4-8-17-11-12/h4-5,8-9,11,14-15H,2-3,6-7,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331009 (3-(1-(4-tert-pentylcyclohexyl)piperidin-4-yl)indol...) Show SMILES CCC(C)(C)C1CCC(CC1)N1CCC(CC1)C1C(=O)Nc2ccccc12 |(39.59,-9.39,;39.59,-10.93,;38.25,-11.69,;38.24,-13.23,;39.57,-12.46,;36.92,-10.92,;35.58,-11.68,;34.26,-10.91,;34.26,-9.37,;35.59,-8.59,;36.93,-9.37,;32.93,-8.59,;31.6,-9.36,;30.27,-8.59,;30.27,-7.05,;31.6,-6.28,;32.93,-7.05,;28.94,-6.29,;28.76,-4.75,;29.9,-3.72,;27.26,-4.44,;26.5,-5.77,;25,-6.09,;24.53,-7.55,;25.56,-8.69,;27.06,-8.37,;27.53,-6.91,)| Show InChI InChI=1S/C24H36N2O/c1-4-24(2,3)18-9-11-19(12-10-18)26-15-13-17(14-16-26)22-20-7-5-6-8-21(20)25-23(22)27/h5-8,17-19,22H,4,9-16H2,1-3H3,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331008 (1-(1-benzyl-3-methylpiperidin-4-yl)indolin-2-one |...) Show SMILES CC1CN(Cc2ccccc2)CCC1N1C(=O)Cc2ccccc12 Show InChI InChI=1S/C21H24N2O/c1-16-14-22(15-17-7-3-2-4-8-17)12-11-19(16)23-20-10-6-5-9-18(20)13-21(23)24/h2-10,16,19H,11-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331019 (1-(6-methyl-6-azabicyclo[3.2.1]octan-3-yl)indolin-...) Show SMILES CN1CC2CC1CC(C2)N1C(=O)Cc2ccccc12 Show InChI InChI=1S/C16H20N2O/c1-17-10-11-6-13(17)9-14(7-11)18-15-5-3-2-4-12(15)8-16(18)19/h2-5,11,13-14H,6-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331013 (CHEMBL1276233 | ethyl 3-(pyridin-3-yl)-9-azabicycl...) Show SMILES CCOC(=O)N1C2CCCC1C=C(C2)c1cccnc1 |c:12| Show InChI InChI=1S/C16H20N2O2/c1-2-20-16(19)18-14-6-3-7-15(18)10-13(9-14)12-5-4-8-17-11-12/h4-5,8-9,11,14-15H,2-3,6-7,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331009 (3-(1-(4-tert-pentylcyclohexyl)piperidin-4-yl)indol...) Show SMILES CCC(C)(C)C1CCC(CC1)N1CCC(CC1)C1C(=O)Nc2ccccc12 |(39.59,-9.39,;39.59,-10.93,;38.25,-11.69,;38.24,-13.23,;39.57,-12.46,;36.92,-10.92,;35.58,-11.68,;34.26,-10.91,;34.26,-9.37,;35.59,-8.59,;36.93,-9.37,;32.93,-8.59,;31.6,-9.36,;30.27,-8.59,;30.27,-7.05,;31.6,-6.28,;32.93,-7.05,;28.94,-6.29,;28.76,-4.75,;29.9,-3.72,;27.26,-4.44,;26.5,-5.77,;25,-6.09,;24.53,-7.55,;25.56,-8.69,;27.06,-8.37,;27.53,-6.91,)| Show InChI InChI=1S/C24H36N2O/c1-4-24(2,3)18-9-11-19(12-10-18)26-15-13-17(14-16-26)22-20-7-5-6-8-21(20)25-23(22)27/h5-8,17-19,22H,4,9-16H2,1-3H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331008 (1-(1-benzyl-3-methylpiperidin-4-yl)indolin-2-one |...) Show SMILES CC1CN(Cc2ccccc2)CCC1N1C(=O)Cc2ccccc12 Show InChI InChI=1S/C21H24N2O/c1-16-14-22(15-17-7-3-2-4-8-17)12-11-19(16)23-20-10-6-5-9-18(20)13-21(23)24/h2-10,16,19H,11-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50147744 (1-{1-[1-(4-Cyclohexyl-phenyl)-ethyl]-piperidin-4-y...) Show SMILES CC(N1CCC(CC1)N1C(=O)Cc2ccccc12)c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C27H34N2O/c1-20(21-11-13-23(14-12-21)22-7-3-2-4-8-22)28-17-15-25(16-18-28)29-26-10-6-5-9-24(26)19-27(29)30/h5-6,9-14,20,22,25H,2-4,7-8,15-19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50147744 (1-{1-[1-(4-Cyclohexyl-phenyl)-ethyl]-piperidin-4-y...) Show SMILES CC(N1CCC(CC1)N1C(=O)Cc2ccccc12)c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C27H34N2O/c1-20(21-11-13-23(14-12-21)22-7-3-2-4-8-22)28-17-15-25(16-18-28)29-26-10-6-5-9-24(26)19-27(29)30/h5-6,9-14,20,22,25H,2-4,7-8,15-19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331019 (1-(6-methyl-6-azabicyclo[3.2.1]octan-3-yl)indolin-...) Show SMILES CN1CC2CC1CC(C2)N1C(=O)Cc2ccccc12 Show InChI InChI=1S/C16H20N2O/c1-17-10-11-6-13(17)9-14(7-11)18-15-5-3-2-4-12(15)8-16(18)19/h2-5,11,13-14H,6-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331018 (1-(6-benzyl-6-azabicyclo[3.2.1]octan-3-yl)indolin-...) Show SMILES O=C1Cc2ccccc2N1C1CC2CC(C1)N(Cc1ccccc1)C2 Show InChI InChI=1S/C22H24N2O/c25-22-12-18-8-4-5-9-21(18)24(22)20-11-17-10-19(13-20)23(15-17)14-16-6-2-1-3-7-16/h1-9,17,19-20H,10-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha7 nAChR in rat brain membranes after 2 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331010 (1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indolin-...) Show SMILES CN1C2CCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:9:7:1:3.4| Show InChI InChI=1S/C16H20N2O/c1-17-12-6-7-13(17)10-14(9-12)18-15-5-3-2-4-11(15)8-16(18)19/h2-5,12-14H,6-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50331012 (1-(9-azabicyclo[3.3.1]nonan-3-yl)indolin-2-one | C...) Show SMILES O=C1Cc2ccccc2N1C1CC2CCCC(C1)N2 |THB:9:10:18:13.15.14| Show InChI InChI=1S/C16H20N2O/c19-16-8-11-4-1-2-7-15(11)18(16)14-9-12-5-3-6-13(10-14)17-12/h1-2,4,7,12-14,17H,3,5-6,8-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as inhibition of epibatidine-induced calcium influx by FLIPR assay				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Agonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as increase of calcium influx by FLIPR assay				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331014 (9-methyl-3-(pyridin-3-yl)-9-azabicyclo[3.3.1]non-2...) Show SMILES CN1C2CCCC1C=C(C2)c1cccnc1 |c:8| Show InChI InChI=1S/C14H18N2/c1-16-13-5-2-6-14(16)9-12(8-13)11-4-3-7-15-10-11/h3-4,7-8,10,13-14H,2,5-6,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Partial agonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as increase of calcium influx by FLIPR assay				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331016 (6-benzyl-3-(pyridin-3-yl)-6-azabicyclo[3.2.2]non-2...) Show SMILES C(N1CC2CCC1CC(=C2)c1cccnc1)c1ccccc1 |c:9| Show InChI InChI=1S/C20H22N2/c1-2-5-16(6-3-1)14-22-15-17-8-9-20(22)12-19(11-17)18-7-4-10-21-13-18/h1-7,10-11,13,17,20H,8-9,12,14-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Partial agonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as increase of calcium influx by FLIPR assay				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Agonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as increase of calcium influx by FLIPR assay				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair