Found 90 hits of Enzyme Inhibition Constant Data 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-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50066789
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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 | UniProtKB/TrEMBL
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Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50066789
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)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
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Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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
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Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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
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Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nicotinic acetylcholine receptor
(RAT) | BDBM50066789
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)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 | UniProtKB/TrEMBL
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Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50100712
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50171347
(3-(Azetidin-2-ylmethoxy)-pyridine | A-85380 | CHEM...)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 | PDB
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50100712
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50100712
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50100712
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50100712
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)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
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Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50171347
(3-(Azetidin-2-ylmethoxy)-pyridine | A-85380 | CHEM...)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 | PDB
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50171347
(3-(Azetidin-2-ylmethoxy)-pyridine | A-85380 | CHEM...)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 | UniProtKB/TrEMBL
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Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50100712
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)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 | UniProtKB/TrEMBL
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50066789
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50100712
(2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptan...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM86311
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86311
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)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
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM86311
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)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 | UniProtKB/TrEMBL
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86311
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)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
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM86311
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)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
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50171347
(3-(Azetidin-2-ylmethoxy)-pyridine | A-85380 | CHEM...)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 | PDB
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)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
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)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
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)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 | UniProtKB/TrEMBL
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50171347
(3-(Azetidin-2-ylmethoxy)-pyridine | A-85380 | CHEM...)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 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50066789
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)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
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50061567
(1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...)Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50061567
(1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...)Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM86311
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)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
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)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
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50066789
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)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
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | PDB
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | UniProtKB/TrEMBL
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)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
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | PDB
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50171347
(3-(Azetidin-2-ylmethoxy)-pyridine | A-85380 | CHEM...)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 | PDB
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| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50061567
(1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...)Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1 | PDB
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| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | PDB
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| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50061567
(1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...)Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1 | UniProtKB/TrEMBL
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)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
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50143313
((12S,13aS)-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-/m0/s1 | UniProtKB/TrEMBL
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM86311
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)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
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50004656
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | PDB
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| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50066789
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)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
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)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
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| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50004656
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | UniProtKB/TrEMBL
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| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50004656
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | PDB
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| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50143313
((12S,13aS)-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-/m0/s1 | PDB
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50061567
(1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...)Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1 | PDB
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| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | PDB
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| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50004656
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | PDB
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50004656
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | PDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50004656
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | PDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM86309
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3 | PDB
UniProtKB/SwissProt
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50061567
(1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...)Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1 | PDB
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM86309
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3 | PDB
UniProtKB/SwissProt
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| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50061567
(1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...)Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1 | PDB
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| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50143313
((12S,13aS)-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-/m0/s1 | PDB
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| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50004656
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | PDB
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| 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50143313
((12S,13aS)-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-/m0/s1 | PDB
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| 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86309
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3 | PDB
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| 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM86309
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3 | UniProtKB/TrEMBL
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| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50061565
((+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...)Show SMILES CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6| 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 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50061565
((+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...)Show SMILES CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6| 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 | PDB
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM86309
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50061565
((+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...)Show SMILES CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6| 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 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50143313
((12S,13aS)-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-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50026220
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 | UniProtKB/TrEMBL
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50026220
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50026220
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50061565
((+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...)Show SMILES CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6| 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 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM86309
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3 | PDB
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Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50026220
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50143313
((12S,13aS)-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-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86309
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50026220
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50143313
((12S,13aS)-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-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50061565
((+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...)Show SMILES CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6| 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 | UniProtKB/TrEMBL
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50026220
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50026220
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50061565
((+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...)Show SMILES CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6| 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 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50061565
((+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...)Show SMILES CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6| 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 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this
Ligand-Target Pair | |
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