Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50015397   

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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50155639 (Acetaldehyde O-((S)-1-methyl-pyrrolidin-2-ylmethyl...) Show SMILES C\C=N/OC[C@@H]1CCCN1C Show InChI InChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/b9-3-/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					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	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50155637 (CHEMBL186295 | Propan-2-one O-((S)-1-methyl-pyrrol...) Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]\[#7]=[#6](\[#6])-[#6] Show InChI InChI=1S/C9H18N2O/c1-8(2)10-12-7-9-5-4-6-11(9)3/h9H,4-7H2,1-3H3/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					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 di Milano Curated by ChEMBL					Assay Description Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50155635 ((S)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...) Show SMILES CC(C)O\N=C\[C@@H]1CCCN1C Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7+/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50155643 ((S)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...) Show SMILES CC(C)O\N=C/[C@@H]1CCCN1C Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7-/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50155642 ((R)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...) Show SMILES CC(C)O\N=C\[C@H]1CCCN1C Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7+/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50155634 (Acetaldehyde O-((R)-1-methyl-pyrrolidin-2-ylmethyl...) Show SMILES C\C=N/OC[C@H]1CCCN1C Show InChI InChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/b9-3-/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50155636 ((R)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...) Show SMILES CC(C)O\N=C/[C@H]1CCCN1C Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7-/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50155640 (CHEMBL187098 | Propan-2-one O-((R)-1-methyl-pyrrol...) Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8]\[#7]=[#6](\[#6])-[#6] Show InChI InChI=1S/C9H18N2O/c1-8(2)10-12-7-9-5-4-6-11(9)3/h9H,4-7H2,1-3H3/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50155642 ((R)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...) Show SMILES CC(C)O\N=C\[C@H]1CCCN1C Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7+/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50155637 (CHEMBL186295 | Propan-2-one O-((S)-1-methyl-pyrrol...) Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]\[#7]=[#6](\[#6])-[#6] Show InChI InChI=1S/C9H18N2O/c1-8(2)10-12-7-9-5-4-6-11(9)3/h9H,4-7H2,1-3H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50155638 (CHEMBL185926 | Propan-2-one O-((S)-1-methyl-piperi...) Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#6]-1)-[#8]\[#7]=[#6](/[#6])-[#6] Show InChI InChI=1S/C9H18N2O/c1-8(2)10-12-9-5-4-6-11(3)7-9/h9H,4-7H2,1-3H3/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50155635 ((S)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...) Show SMILES CC(C)O\N=C\[C@@H]1CCCN1C Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7+/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50155641 (CHEMBL365474 | Propan-2-one O-((R)-1-methyl-piperi...) Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#8]\[#7]=[#6](/[#6])-[#6] Show InChI InChI=1S/C9H18N2O/c1-8(2)10-12-9-5-4-6-11(3)7-9/h9H,4-7H2,1-3H3/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50155639 (Acetaldehyde O-((S)-1-methyl-pyrrolidin-2-ylmethyl...) Show SMILES C\C=N/OC[C@@H]1CCCN1C Show InChI InChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/b9-3-/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes				Bioorg Med Chem Lett 14: 5827-30 (2004) Article DOI: 10.1016/j.bmcl.2004.09.044 BindingDB Entry DOI: 10.7270/Q2B56J7G
					More data for this Ligand-Target Pair