Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50028300   

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 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50062641 (5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...) Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r| Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) Show SMILES C1NC2CC1N(C2)c1cccnc1 |TLB:7:5:0.1:3| 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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50257890 (3-(pyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane | ...) Show SMILES C1NC2CN(CC12)c1cccnc1 Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-6-8-4-12-10(8)7-13/h1-3,5,8,10,12H,4,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50257892 (6-(pyridin-3-yl)-1,6-diazaspiro[3.4]octane | CHEMB...) Show SMILES C1CC2(CCN(C2)c2cccnc2)N1 Show InChI InChI=1S/C11H15N3/c1-2-10(8-12-5-1)14-7-4-11(9-14)3-6-13-11/h1-2,5,8,13H,3-4,6-7,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50257891 (6-(6-chloropyridin-3-yl)-1,6-diazaspiro[3.4]octane...) Show SMILES Clc1ccc(cn1)N1CCC2(CCN2)C1 Show InChI InChI=1S/C11H14ClN3/c12-10-2-1-9(7-13-10)15-6-4-11(8-15)3-5-14-11/h1-2,7,14H,3-6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) Show SMILES C1CNC2(C1)CCN(C2)c1cccnc1 Show InChI InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50257893 (7-(6-chloropyridin-3-yl)-1,7-diazaspiro[4.4]nonane...) Show SMILES Clc1ccc(cn1)N1CCC2(CCCN2)C1 Show InChI InChI=1S/C12H16ClN3/c13-11-3-2-10(8-14-11)16-7-5-12(9-16)4-1-6-15-12/h2-3,8,15H,1,4-7,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50257943 (2-(pyridin-3-yl)-2,7-diazaspiro[4.4]nonane | CHEMB...) Show SMILES C1CC2(CCN(C2)c2cccnc2)CN1 Show InChI InChI=1S/C12H17N3/c1-2-11(8-13-5-1)15-7-4-12(10-15)3-6-14-9-12/h1-2,5,8,14H,3-4,6-7,9-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50257942 (2-(6-chloropyridin-3-yl)-2,7-diazaspiro[4.4]nonane...) Show SMILES Clc1ccc(cn1)N1CCC2(CCNC2)C1 Show InChI InChI=1S/C12H16ClN3/c13-11-2-1-10(7-15-11)16-6-4-12(9-16)3-5-14-8-12/h1-2,7,14H,3-6,8-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50062641 (5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...) Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r| Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) Show SMILES C1NC2CC1N(C2)c1cccnc1 |TLB:7:5:0.1:3| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50257890 (3-(pyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane | ...) Show SMILES C1NC2CN(CC12)c1cccnc1 Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-6-8-4-12-10(8)7-13/h1-3,5,8,10,12H,4,6-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50257891 (6-(6-chloropyridin-3-yl)-1,6-diazaspiro[3.4]octane...) Show SMILES Clc1ccc(cn1)N1CCC2(CCN2)C1 Show InChI InChI=1S/C11H14ClN3/c12-10-2-1-9(7-13-10)15-6-4-11(8-15)3-5-14-11/h1-2,7,14H,3-6,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50257892 (6-(pyridin-3-yl)-1,6-diazaspiro[3.4]octane | CHEMB...) Show SMILES C1CC2(CCN(C2)c2cccnc2)N1 Show InChI InChI=1S/C11H15N3/c1-2-10(8-12-5-1)14-7-4-11(9-14)3-6-13-11/h1-2,5,8,13H,3-4,6-7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50257893 (7-(6-chloropyridin-3-yl)-1,7-diazaspiro[4.4]nonane...) Show SMILES Clc1ccc(cn1)N1CCC2(CCCN2)C1 Show InChI InChI=1S/C12H16ClN3/c13-11-3-2-10(8-14-11)16-7-5-12(9-16)4-1-6-15-12/h2-3,8,15H,1,4-7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) Show SMILES C1CNC2(C1)CCN(C2)c1cccnc1 Show InChI InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50257942 (2-(6-chloropyridin-3-yl)-2,7-diazaspiro[4.4]nonane...) Show SMILES Clc1ccc(cn1)N1CCC2(CCNC2)C1 Show InChI InChI=1S/C12H16ClN3/c13-11-2-1-10(7-15-11)16-6-4-12(9-16)3-5-14-8-12/h1-2,7,14H,3-6,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50257943 (2-(pyridin-3-yl)-2,7-diazaspiro[4.4]nonane | CHEMB...) Show SMILES C1CC2(CCN(C2)c2cccnc2)CN1 Show InChI InChI=1S/C12H17N3/c1-2-11(8-13-5-1)15-7-4-12(10-15)3-6-14-9-12/h1-2,5,8,14H,3-4,6-7,9-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50257942 (2-(6-chloropyridin-3-yl)-2,7-diazaspiro[4.4]nonane...) Show SMILES Clc1ccc(cn1)N1CCC2(CCNC2)C1 Show InChI InChI=1S/C12H16ClN3/c13-11-2-1-10(7-15-11)16-6-4-12(9-16)3-5-14-8-12/h1-2,7,14H,3-6,8-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) Show SMILES C1CNC2(C1)CCN(C2)c1cccnc1 Show InChI InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50257893 (7-(6-chloropyridin-3-yl)-1,7-diazaspiro[4.4]nonane...) Show SMILES Clc1ccc(cn1)N1CCC2(CCCN2)C1 Show InChI InChI=1S/C12H16ClN3/c13-11-3-2-10(8-14-11)16-7-5-12(9-16)4-1-6-15-12/h2-3,8,15H,1,4-7,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50257892 (6-(pyridin-3-yl)-1,6-diazaspiro[3.4]octane | CHEMB...) Show SMILES C1CC2(CCN(C2)c2cccnc2)N1 Show InChI InChI=1S/C11H15N3/c1-2-10(8-12-5-1)14-7-4-11(9-14)3-6-13-11/h1-2,5,8,13H,3-4,6-7,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50257943 (2-(pyridin-3-yl)-2,7-diazaspiro[4.4]nonane | CHEMB...) Show SMILES C1CC2(CCN(C2)c2cccnc2)CN1 Show InChI InChI=1S/C12H17N3/c1-2-11(8-13-5-1)15-7-4-12(10-15)3-6-14-9-12/h1-2,5,8,14H,3-4,6-7,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50257890 (3-(pyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane | ...) Show SMILES C1NC2CN(CC12)c1cccnc1 Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-6-8-4-12-10(8)7-13/h1-3,5,8,10,12H,4,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50062641 (5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...) Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r| Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50257891 (6-(6-chloropyridin-3-yl)-1,6-diazaspiro[3.4]octane...) Show SMILES Clc1ccc(cn1)N1CCC2(CCN2)C1 Show InChI InChI=1S/C11H14ClN3/c12-10-2-1-9(7-13-10)15-6-4-11(8-15)3-5-14-11/h1-2,7,14H,3-6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay				Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK
					More data for this Ligand-Target Pair