Found 950 hits Enz. Inhib. hit(s) with Target = 'CHRNA4' 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
(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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| 0.00800 | 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 | |
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)
(Rattus norvegicus (Rat)) | BDBM184561
(US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...)Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2 | PDB
UniProtKB/SwissProt
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| KEGG PC cid PC sid UniChem
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| US Patent
| 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY
US Patent
| Assay Description The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table... |
US Patent US9150581 (2015)
BindingDB Entry DOI: 10.7270/Q2319TNR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86812
(CAS_45263784 | NSC_45263784 | rac-2-(6-fluoro-5-(4...)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:11:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2 | PDB
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| 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by PDSP Ki Database
| |
Bioorg Med Chem 16: 746-54 (2008)
Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Gallus gallus) | 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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| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant Gallus gallus (chicken) alpha4beta2 nicotinic acetylcholine receptor assessed as [3H]NIC binding by radioligand bindi... |
J Agric Food Chem 59: 2825-8 (2011)
Article DOI: 10.1021/jf1019455 BindingDB Entry DOI: 10.7270/Q2GF0XCJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | 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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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by PDSP Ki Database
| |
Mol Pharmacol 53: 950-62 (1998)
BindingDB Entry DOI: 10.7270/Q2B856PT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | 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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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by PDSP Ki Database
| |
Mol Pharmacol 53: 950-62 (1998)
BindingDB Entry DOI: 10.7270/Q2B856PT |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50049750
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)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
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| 0.0100 | 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-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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| 0.0100 | 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-4
(Rattus norvegicus (Rat)) | BDBM50263171
((+)-2-(6'-[18F]fluoro-3,3'-bipyridin-5-yl)-7-methy...)Show SMILES CN1C2CCC1C(C2)c1cncc(c1)-c1ccc(F)nc1 |TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-3-4-16(21)15(7-14)13-6-12(8-19-9-13)11-2-5-17(18)20-10-11/h2,5-6,8-10,14-16H,3-4,7H2,1H3 | PDB
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| 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | 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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| 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Barrow Neurological Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1283-94 (2003)
Article DOI: 10.1124/mol.64.6.1283 BindingDB Entry DOI: 10.7270/Q2GF0S2V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50216315
((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...)Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2 | PDB
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| 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]cytosine form alpha4beta2 nAChR in rat striatum |
Bioorg Med Chem Lett 18: 6147-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50263095
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1 | PDB
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| 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
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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| 0.0200 | 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-4
(Rattus norvegicus (Rat)) | BDBM50100717
(2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...)Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2 | PDB
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| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by PDSP Ki Database
| |
Bioorg Med Chem 16: 746-54 (2008)
Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC |
More data for this Ligand-Target Pair | |
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)
(Rattus norvegicus (Rat)) | BDBM184561
(US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...)Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2 | PDB
UniProtKB/SwissProt
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| KEGG PC cid PC sid UniChem
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| US Patent
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY
US Patent
| Assay Description The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table... |
US Patent US9150581 (2015)
BindingDB Entry DOI: 10.7270/Q2319TNR |
More data for this Ligand-Target Pair | |
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)
(Rattus norvegicus (Rat)) | BDBM184561
(US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...)Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2 | PDB
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| US Patent
| 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY
US Patent
| Assay Description The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table... |
US Patent US9150581 (2015)
BindingDB Entry DOI: 10.7270/Q2319TNR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50275878
(3-(6-chloropyridin-3-yl)-3,6-diazabicyclo[3.1.1]he...)Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2 | PDB
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| Article PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex |
Bioorg Med Chem Lett 18: 6147-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ |
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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| 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by PDSP Ki Database
| |
Bioorg Med Chem 16: 746-54 (2008)
Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50295959
((S)-2-chloro-5-((1-methylpyrrolidin-2-yl)methoxy)-...)Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(\C=C\c2ccncc2)c1 |r| Show InChI InChI=1S/C18H20ClN3O/c1-22-10-2-3-16(22)13-23-17-11-15(18(19)21-12-17)5-4-14-6-8-20-9-7-14/h4-9,11-12,16H,2-3,10,13H2,1H3/b5-4+/t16-/m0/s1 | PDB
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| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [125I]5-A-85380 from alpha4beta2 nicotinic receptor in rat brain |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50295955
(5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...)Show SMILES Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 |r| Show InChI InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1 | PDB
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| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86815
(CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...)Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2 | PDB
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| Article PubMed
| 0.0290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by PDSP Ki Database
| |
Bioorg Med Chem 16: 746-54 (2008)
Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50062639
(5-((S)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1 | PDB
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| Article PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
Science 279: 77-81 (1998)
Article DOI: 10.1126/science.279.5347.77 BindingDB Entry DOI: 10.7270/Q2X63KGH |
More data for this Ligand-Target Pair | |
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)
(Rattus norvegicus (Rat)) | BDBM50395218
(CHEMBL2164666 | US9150581, RTI-7527-192)Show SMILES Fc1ncc(cc1-c1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CC2CCC1N2 |THB:4:20:23.24:26| Show InChI InChI=1S/C18H16F4N2O2S/c19-17-15(7-11(9-23-17)14-8-12-3-6-16(14)24-12)10-1-4-13(5-2-10)27(25,26)18(20,21)22/h1-2,4-5,7,9,12,14,16,24H,3,6,8H2 | PDB
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RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY
US Patent
| Assay Description The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table... |
US Patent US9150581 (2015)
BindingDB Entry DOI: 10.7270/Q2319TNR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50279404
(CHEMBL447388 | cis-2-(5-Ethoxy-3-pyridinyl)octahyd...)Show InChI InChI=1S/C13H19N3O/c1-2-17-13-3-12(6-15-7-13)16-8-10-4-14-5-11(10)9-16/h3,6-7,10-11,14H,2,4-5,8-9H2,1H3/t10-,11+ | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane |
J Med Chem 52: 4126-41 (2009)
Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-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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Università degli Studi di Milano
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in rat cortical membrane |
Bioorg Med Chem Lett 18: 4651-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.016 BindingDB Entry DOI: 10.7270/Q20C4VKW |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50275880
(3-(6-bromopyridin-3-yl)-3,6-diazabicyclo[3.1.1]hep...)Show InChI InChI=1S/C10H12BrN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2 | PDB
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Università di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex |
Bioorg Med Chem Lett 18: 6147-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ |
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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Abbott Laboratories
Curated by PDSP Ki Database
| |
Science 279: 77-81 (1998)
Article DOI: 10.1126/science.279.5347.77 BindingDB Entry DOI: 10.7270/Q2X63KGH |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50049750
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)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
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Abbott Laboratories
Curated by PDSP Ki Database
| |
Neuropharmacology 35: 725-34 (1996)
Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50279405
(CHEMBL488772 | cis-3-(5-Propyloxy-3-pyridinyl)-3,7...)Show InChI InChI=1S/C14H21N3O/c1-2-3-18-14-4-13(7-16-8-14)17-9-11-5-15-6-12(11)10-17/h4,7-8,11-12,15H,2-3,5-6,9-10H2,1H3/t11-,12+ | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane |
J Med Chem 52: 4126-41 (2009)
Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86816
(CAS_45263769 | NSC_45263769 | rac-2-(5-(4-chloroph...)Show SMILES Fc1ncc(cc1-c1ccc(Cl)cc1)C1CC2CCC1N2 |TLB:4:14:17.18:20| Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2 | PDB
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Research Triangle Institute
Curated by PDSP Ki Database
| |
Bioorg Med Chem 16: 746-54 (2008)
Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC |
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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The Danish University of Pharmaceutical Sciences
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 865-75 (2003)
Article DOI: 10.1124/mol.64.4.865 BindingDB Entry DOI: 10.7270/Q2RX99PV |
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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Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane |
Bioorg Med Chem Lett 19: 1682-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK |
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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Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane |
J Med Chem 52: 4126-41 (2009)
Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50062641
(5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...)Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane |
Bioorg Med Chem Lett 19: 1682-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | 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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Abbott Laboratories
Curated by PDSP Ki Database
| |
Neuropharmacology 35: 725-34 (1996)
Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50278878
(CHEMBL502567 | cis-3-(5-Isopropyloxy-3-pyridinyl)-...)Show InChI InChI=1S/C14H21N3O/c1-10(2)18-14-3-13(6-16-7-14)17-8-11-4-15-5-12(11)9-17/h3,6-7,10-12,15H,4-5,8-9H2,1-2H3/t11-,12+ | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane |
J Med Chem 52: 4126-41 (2009)
Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86810
(CAS_45266065 | NSC_45266065 | rac-2-(6-fluoro-5-(3...)Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:11:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-2-1-3-13(6-10)21(22)23)7-11(9-19-17)14-8-12-4-5-16(14)20-12/h1-3,6-7,9,12,14,16,20H,4-5,8H2 | PDB
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Research Triangle Institute
Curated by PDSP Ki Database
| |
Bioorg Med Chem 16: 746-54 (2008)
Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50295956
(2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...)Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1 | PDB
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The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50275879
(3-(pyridin-3-yl)-3,6-diazabicyclo[3.1.1]heptane | ...)Show InChI InChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2 | PDB
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Università di Sassari
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex |
Bioorg Med Chem Lett 18: 6147-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50278877
(CHEMBL524911 | cis-2-(5-(Benzyloxy)pyridin-3-yl)oc...)Show SMILES C(Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1)c1ccccc1 |r| Show InChI InChI=1S/C18H21N3O/c1-2-4-14(5-3-1)13-22-18-6-17(9-20-10-18)21-11-15-7-19-8-16(15)12-21/h1-6,9-10,15-16,19H,7-8,11-13H2/t15-,16+ | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane |
J Med Chem 52: 4126-41 (2009)
Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50263130
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-3-yl)-5'-p...)Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccnc1F |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-13-4-5-16(21)15(8-13)12-7-11(9-19-10-12)14-3-2-6-20-17(14)18/h2-3,6-7,9-10,13,15-16H,4-5,8H2,1H3/t13-,15-,16-/m1/s1 | PDB
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The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
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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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
(Homo sapiens (Human)) | 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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Abbott Laboratories
Curated by PDSP Ki Database
| |
Neuropharmacology 35: 725-34 (1996)
Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50279402
(CHEMBL486511 | cis-2-(5-Bromopyridin-3-yl)-octahyd...)Show InChI InChI=1S/C11H14BrN3/c12-10-1-11(5-14-4-10)15-6-8-2-13-3-9(8)7-15/h1,4-5,8-9,13H,2-3,6-7H2/t8-,9+ | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane |
J Med Chem 52: 4126-41 (2009)
Article DOI: 10.1021/jm900249k BindingDB Entry DOI: 10.7270/Q2GT5P3R |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-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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The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
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
KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.0610 | 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)) | 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
KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid PDB UniChem
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| Article PubMed
| 0.0610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50295958
((S)-2-chloro-2'-fluoro-5-((1-methylpyrrolidin-2-yl...)Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(c1)-c1ccnc(F)c1 |r| Show InChI InChI=1S/C16H17ClFN3O/c1-21-6-2-3-12(21)10-22-13-8-14(16(17)20-9-13)11-4-5-19-15(18)7-11/h4-5,7-9,12H,2-3,6,10H2,1H3/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50295954
(2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-((1-m...)Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 |r| Show InChI InChI=1S/C17H19ClFN3O2/c1-22-6-2-3-13(22)11-23-14-8-15(17(18)21-9-14)24-10-12-4-5-20-16(19)7-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | 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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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 276: 289-97 (1996)
BindingDB Entry DOI: 10.7270/Q2GM85T1 |
More data for this Ligand-Target Pair | |