Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor; alpha2/beta4'   

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; alpha2/beta4 (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.0910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Agonistic potency against nicotinic acetylcholine receptor alpha3-beta4				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50137787 (6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1| Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description In vitro ability to displace [3H]-(-)-cytisine binding to whole rat brain membranes at Nicotinic acetylcholine receptor alpha4-beta2				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha2beta4 nAChR after 4 hrs by liquid scintillation counting analysis				ACS Med Chem Lett 3: 1054-1058 (2012) Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50400739 (CHEMBL2203550) Show SMILES Clc1cncc(OCc2cc(OC[C@@H]3CCN3)no2)c1 |r| Show InChI InChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha2beta4 nAChR after 4 hrs by liquid scintillation counting analysis				ACS Med Chem Lett 3: 1054-1058 (2012) Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50170586 ((3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C=O Show InChI InChI=1S/C65H92N16O21S4/c1-32(53(90)78-52(33(2)84)62(99)74-41(23-49(67)86)64(101)79-18-6-11-46(79)60(97)72-39(24-51(88)89)55(92)69-36(26-82)28-103)68-54(91)38(21-34-9-4-3-5-10-34)71-58(95)45(31-106)77-61(98)47-12-7-19-80(47)65(102)48-13-8-20-81(48)63(100)40(22-35-14-16-37(85)17-15-35)73-56(93)42(27-83)75-59(96)44(30-105)76-57(94)43(29-104)70-50(87)25-66/h3-5,9-10,14-17,26,32-33,36,38-48,52,83-85,103-106H,6-8,11-13,18-25,27-31,66H2,1-2H3,(H2,67,86)(H,68,91)(H,69,92)(H,70,87)(H,71,95)(H,72,97)(H,73,93)(H,74,99)(H,75,96)(H,76,94)(H,77,98)(H,78,90)(H,88,89)/t32-,33+,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4; Range is 0.3-1.5 nM				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50170592 (CHEMBL411146) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C=O Show InChI InChI=1S/C74H124N26O20S4/c1-36(2)26-45(62(111)91-46(27-40-17-19-42(104)20-18-40)63(112)94-48(32-121)59(108)85-29-55(106)88-43(13-8-22-83-73(78)79)61(110)90-44(14-9-23-84-74(80)81)60(109)87-41(30-101)12-7-21-82-72(76)77)92-69(118)56(37(3)4)97-58(107)38(5)86-65(114)50(34-123)96-68(117)52-15-10-24-99(52)70(119)53-16-11-25-100(53)71(120)57(39(6)103)98-64(113)47(31-102)93-67(116)51(35-124)95-66(115)49(33-122)89-54(105)28-75/h17-20,30,36-39,41,43-53,56-57,102-104,121-124H,7-16,21-29,31-35,75H2,1-6H3,(H,85,108)(H,86,114)(H,87,109)(H,88,106)(H,89,105)(H,90,110)(H,91,111)(H,92,118)(H,93,116)(H,94,112)(H,95,115)(H,96,117)(H,97,107)(H,98,113)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t38-,39+,41-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4; Range is 0.3-1.5 nM				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50170594 ((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...) Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50170594 ((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...) Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50369323 (MECAMYLAMINE) Show SMILES CN[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C |r| Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50061562 ((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...) Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |t:4,11| Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50061562 ((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...) Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |t:4,11| Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50567433 (CHEMBL4869892) Show SMILES [H][C@]1(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)CC |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human alpha2beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-ele...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01973 BindingDB Entry DOI: 10.7270/Q2CN77P3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50581248 (CHEMBL5090753) Show SMILES C[C@H](O)[C@H]1NC(=O)[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSCS2)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human alpha2beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-ele...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00802 BindingDB Entry DOI: 10.7270/Q2542SG3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50581246 (CHEMBL5080428) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSCS2)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)CN |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human alpha2beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-ele...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00802 BindingDB Entry DOI: 10.7270/Q2542SG3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50567435 (CHEMBL4872191) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human alpha2beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-ele...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01973 BindingDB Entry DOI: 10.7270/Q2CN77P3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50606633 (CHEMBL5219936) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00512 BindingDB Entry DOI: 10.7270/Q20G3Q8V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50369323 (MECAMYLAMINE) Show SMILES CN[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C |r| Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50071366 (7-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h...) Show SMILES COc1cc2CCC3CCNC3c2cn1 Show InChI InChI=1S/C12H16N2O/c1-15-11-6-9-3-2-8-4-5-13-12(8)10(9)7-14-11/h6-8,12-13H,2-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by ChEMBL					Assay Description Compound was evaluated for agonist activity against activated human recombinant Nicotinic acetylcholine receptor alpha2-beta4 in Xenopus Oocytes				Bioorg Med Chem Lett 8: 2173-8 (1999) BindingDB Entry DOI: 10.7270/Q2V9877J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Effective concentration against Nicotinic acetylcholine receptor alpha2-beta4				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50170598 (5'-phenyl-3'H-4-azaspiro[bicyclo[2.2.2]octane-2,2'...) Show SMILES C1c2cc(cnc2OC11CN2CCC1CC2)-c1ccccc1 |TLB:7:8:14.15:12.11,(6.42,-1.42,;7.72,-.59,;9.2,-.98,;10.3,.11,;9.9,1.6,;8.4,2,;7.31,.9,;5.79,1,;5.23,-.45,;4.43,-1.59,;2.85,-.63,;2.85,.74,;3.67,1.56,;3.69,.48,;1.97,-.29,;1.2,-1.52,;11.79,-.29,;12.86,.81,;14.36,.39,;14.75,-1.1,;13.66,-2.18,;12.18,-1.78,)| Show InChI InChI=1S/C19H20N2O/c1-2-4-14(5-3-1)16-10-15-11-19(22-18(15)20-12-16)13-21-8-6-17(19)7-9-21/h1-5,10,12,17H,6-9,11,13H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Effective concentration against Nicotinic acetylcholine receptor alpha2-beta4				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair