Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50021185   

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))	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	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50221885 ((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...) Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50221885 ((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...) Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50221887 (1,1-dimethyl-2-quinolin-6-yl-pyrrolidinium iodide ...) Show SMILES C[N+]1(C)CCCC1c1ccc2ncccc2c1 |w:6.7| Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50221883 ((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...) Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50221882 ((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...) Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50221883 ((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...) Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50221884 (CHEMBL243666 | rac-6-(1-methylpyrrolidin-2-yl)quin...) Show SMILES CN1CCCC1c1ccc2ncccc2c1 |w:5.6| Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50221888 (CHEMBL390227 | trimethyl-(4-quinolin-6-yl-but-3-yn...) Show SMILES C[N+](C)(C)CCC#Cc1ccc2ncccc2c1 Show InChI InChI=1S/C16H19N2/c1-18(2,3)12-5-4-7-14-9-10-16-15(13-14)8-6-11-17-16/h6,8-11,13H,5,12H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50221882 ((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...) Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50221882 ((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...) Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50221885 ((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...) Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50221886 ((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...) Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50221886 ((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...) Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50221888 (CHEMBL390227 | trimethyl-(4-quinolin-6-yl-but-3-yn...) Show SMILES C[N+](C)(C)CCC#Cc1ccc2ncccc2c1 Show InChI InChI=1S/C16H19N2/c1-18(2,3)12-5-4-7-14-9-10-16-15(13-14)8-6-11-17-16/h6,8-11,13H,5,12H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50221886 ((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...) Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50221883 ((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...) Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1 Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex				J Med Chem 50: 4993-5002 (2007) Article DOI: 10.1021/jm070325r BindingDB Entry DOI: 10.7270/Q2FF3S34
					More data for this Ligand-Target Pair