Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50026687   

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	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50135594 ((+/-)-2-(6-chloropyridin-3-yl)-9-aza-bicyclo[4.2.1...) Show SMILES Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15| Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in rat brain membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50261762 ((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50261762 ((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50261762 ((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in rat cerebral membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50261762 ((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]cystisine from alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50261762 ((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50261766 ((+/-)-exo-(1R,2R,4R)-2-(6-chloropyridin-3-yl)-7-az...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:4:7:10.11:13| 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/t8-,9-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50035398 ((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...) Show SMILES CN1CCC[C@H]1c1cc(C)no1 |r| Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50261764 ((+/-)-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[2.2....) Show SMILES Cc1cc(on1)C1=CC2CCC1N2 |t:7,THB:3:6:9.10:12| Show InChI InChI=1S/C10H12N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4-5,7,9,11H,2-3H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50261763 ((+/-)-endo-(1R,2R,4R)-2-(3-methylisoxazol-5-yl)-7-...) Show SMILES Cc1cc(on1)[C@@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50261763 ((+/-)-endo-(1R,2R,4R)-2-(3-methylisoxazol-5-yl)-7-...) Show SMILES Cc1cc(on1)[C@@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12| Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50261765 ((-/+)-7-methyl-2-(3-methylisoxazol-5-yl)-7-aza-bic...) Show SMILES CN1C2CCC1C(=C2)c1cc(C)no1 |c:7,TLB:8:6:3.4:1| Show InChI InChI=1S/C11H14N2O/c1-7-5-11(14-12-7)9-6-8-3-4-10(9)13(8)2/h5-6,8,10H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	394	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50261765 ((-/+)-7-methyl-2-(3-methylisoxazol-5-yl)-7-aza-bic...) Show SMILES CN1C2CCC1C(=C2)c1cc(C)no1 |c:7,TLB:8:6:3.4:1| Show InChI InChI=1S/C11H14N2O/c1-7-5-11(14-12-7)9-6-8-3-4-10(9)13(8)2/h5-6,8,10H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	514	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50035398 ((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...) Show SMILES CN1CCC[C@H]1c1cc(C)no1 |r| Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50261764 ((+/-)-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[2.2....) Show SMILES Cc1cc(on1)C1=CC2CCC1N2 |t:7,THB:3:6:9.10:12| Show InChI InChI=1S/C10H12N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4-5,7,9,11H,2-3H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50135594 ((+/-)-2-(6-chloropyridin-3-yl)-9-aza-bicyclo[4.2.1...) Show SMILES Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15| Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat brain membrane				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50135594 ((+/-)-2-(6-chloropyridin-3-yl)-9-aza-bicyclo[4.2.1...) Show SMILES Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15| Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Wistar rat hindlimb muscle				Bioorg Med Chem Lett 18: 4651-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW
					More data for this Ligand-Target Pair