Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50038852   

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-7 (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 GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nicotinic acetylcholine receptor expressed in xenopus laevis oocytes by parallel oocyte electrophysiolog...				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50279369 (CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...) Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cccnc1 |r| Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nicotinic acetylcholine receptor expressed in xenopus laevis oocytes by parallel oocyte electrophysiolog...				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50279404 (CHEMBL447388 | cis-2-(5-Ethoxy-3-pyridinyl)octahyd...) Show SMILES CCOc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C13H19N3O/c1-2-17-13-3-12(6-15-7-13)16-8-10-4-14-5-11(10)9-16/h3,6-7,10-11,14H,2,4-5,8-9H2,1H3/t10-,11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 alpha7 nicotinic acetylcholine receptor expressed in xenopus laevis oocytes by parallel oocyte electrophysiolog...				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50279059 (CHEMBL496851 | cis-5-[6-(5-Methyl-hexahydro-pyrrol...) Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H21N5/c1-23-9-15-11-24(12-16(15)10-23)19-5-4-18(21-22-19)13-2-3-17-14(8-13)6-7-20-17/h2-8,15-16,20H,9-12H2,1H3/t15-,16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nicotinic acetylcholine receptor expressed in xenopus laevis oocytes by parallel oocyte electrophysiolog...				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50278955 (CHEMBL506103 | CHEMBL610752 | cis-2-(6-Phenyl-pyri...) Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C16H18N4/c1-2-4-12(5-3-1)15-6-7-16(19-18-15)20-10-13-8-17-9-14(13)11-20/h1-7,13-14,17H,8-11H2/t13-,14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nicotinic acetylcholine receptor expressed in xenopus laevis oocytes by parallel oocyte electrophysiolog...				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50278956 ((3aR,6aS)-2-methyl-5-(6-phenylpyridazin-3-yl)octah...) Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3/t14-,15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.26E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nicotinic acetylcholine receptor expressed in xenopus laevis oocytes by parallel oocyte electrophysiolog...				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50278881 (CHEMBL496667 | cis-2-(5-Phenylpyridin-3-yl)-octahy...) Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cncc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C17H19N3/c1-2-4-13(5-3-1)14-6-17(10-19-7-14)20-11-15-8-18-9-16(15)12-20/h1-7,10,15-16,18H,8-9,11-12H2/t15-,16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 alpha7 nicotinic acetylcholine receptor expressed in xenopus laevis oocytes by parallel oocyte electrophysiolog...				J Med Chem 52: 4126-41 (2009) Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R
					More data for this Ligand-Target Pair