Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Cholinergic, Nicotinic Muscle'   

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-9 (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 GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor by the displacement of [3H]-nicotine from rat cortical membranes				J Med Chem 42: 1684-6 (1999) Article DOI: 10.1021/jm990035d BindingDB Entry DOI: 10.7270/Q2QC02PQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50077117 (4-[2-(1-Methyl-pyrrolidin-2-yl)-ethylsulfanyl]-phe...) Show SMILES CN1CCCC1CCSc1ccc(O)cc1 Show InChI InChI=1S/C13H19NOS/c1-14-9-2-3-11(14)8-10-16-13-6-4-12(15)5-7-13/h4-7,11,15H,2-3,8-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor by the displacement of [3H]-nicotine from rat cortical membranes				J Med Chem 42: 1684-6 (1999) Article DOI: 10.1021/jm990035d BindingDB Entry DOI: 10.7270/Q2QC02PQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50079884 (2-(3-Pentyl-3H-diazirin-3-yl)-ethanol | CHEMBL1118...) Show SMILES CCCCCC1(CCO)N=N1 |c:9| Show InChI InChI=1S/C8H16N2O/c1-2-3-4-5-8(6-7-11)9-10-8/h11H,2-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description The compound was tested for inhibitory potency against Nicotinic acetylcholine receptor in Rat muscle.				J Med Chem 42: 3300-7 (1999) Article DOI: 10.1021/jm9806300 BindingDB Entry DOI: 10.7270/Q28P5ZPF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50100712 (2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...) Show SMILES Ic1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13IN2/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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50107863 ((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...) Show SMILES O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50049750 ((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...) Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50004108 ((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...) Show SMILES CN1CCCC1c1cccnc1 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50066789 (3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...) Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
National Institute on Drug Abuse Curated by PDSP Ki Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM86694 (N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...) Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3| Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by PDSP Ki Database									J Pharmacol Exp Ther 314: 77-85 (2005) Article DOI: 10.1124/jpet.105.083964 BindingDB Entry DOI: 10.7270/Q2MW2FQQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50408543 (CHEMBL336118) Show SMILES Fc1ccc(cc1)C1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C12H14FN/c13-9-3-1-8(2-4-9)11-7-10-5-6-12(11)14-10/h1-4,10-12,14H,5-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0370	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.				J Med Chem 41: 4199-206 (1998) Article DOI: 10.1021/jm980233p BindingDB Entry DOI: 10.7270/Q2FT8N7Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (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 GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.				J Med Chem 41: 4199-206 (1998) Article DOI: 10.1021/jm980233p BindingDB Entry DOI: 10.7270/Q2FT8N7Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50408544 (CHEMBL134341) Show SMILES CN1C2CCC1C(C2)c1ccc(Cl)cc1 |TLB:8:6:1:4.3| Show InChI InChI=1S/C13H16ClN/c1-15-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-5,11-13H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.				J Med Chem 41: 4199-206 (1998) Article DOI: 10.1021/jm980233p BindingDB Entry DOI: 10.7270/Q2FT8N7Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50408541 (CHEMBL134418) Show SMILES CN1C2CCC1C(C2)c1ccc(F)cc1 |TLB:8:6:1:4.3| Show InChI InChI=1S/C13H16FN/c1-15-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-5,11-13H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.				J Med Chem 41: 4199-206 (1998) Article DOI: 10.1021/jm980233p BindingDB Entry DOI: 10.7270/Q2FT8N7Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50408546 (CHEMBL335204) Show SMILES CCN1C2CCC1C(C2)c1ccc(Cl)cc1 |TLB:9:7:2:5.4| Show InChI InChI=1S/C14H18ClN/c1-2-16-12-7-8-14(16)13(9-12)10-3-5-11(15)6-4-10/h3-6,12-14H,2,7-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13.6	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.				J Med Chem 41: 4199-206 (1998) Article DOI: 10.1021/jm980233p BindingDB Entry DOI: 10.7270/Q2FT8N7Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50408547 (CHEMBL135684) Show SMILES Brc1ccc(cc1)C1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C12H14BrN/c13-9-3-1-8(2-4-9)11-7-10-5-6-12(11)14-10/h1-4,10-12,14H,5-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0450	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.				J Med Chem 41: 4199-206 (1998) Article DOI: 10.1021/jm980233p BindingDB Entry DOI: 10.7270/Q2FT8N7Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50408542 (CHEMBL337276) Show SMILES CN1C2CCC1C(C2)c1ccc(Br)cc1 |TLB:8:6:1:4.3| Show InChI InChI=1S/C13H16BrN/c1-15-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-5,11-13H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0360	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.				J Med Chem 41: 4199-206 (1998) Article DOI: 10.1021/jm980233p BindingDB Entry DOI: 10.7270/Q2FT8N7Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-9 (RAT)	BDBM50408545 (CHEMBL135897) Show SMILES Clc1ccc(cc1)C1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C12H14ClN/c13-9-3-1-8(2-4-9)11-7-10-5-6-12(11)14-10/h1-4,10-12,14H,5-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.				J Med Chem 41: 4199-206 (1998) Article DOI: 10.1021/jm980233p BindingDB Entry DOI: 10.7270/Q2FT8N7Z
					More data for this Ligand-Target Pair