Found 137 hits with Last Name = 'mullen' and Initial = 'g' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
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| Purchase
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB
MMDB
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KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-7
(Mus musculus) | BDBM50096713
(1H-Indole-3-carboxylic acid 1-aza-bicyclo[2.2.2]oc...)Show SMILES O=C(OC1CN2CCC1CC2)c1c[nH]c2ccccc12 |THB:2:3:9.10:7.6,(10.78,-2.61,;10.78,-4.18,;12.1,-4.96,;13.37,-6.22,;12.58,-7.47,;14.26,-6.58,;15.87,-7.55,;16.69,-6.38,;15.12,-5.43,;15.11,-4.33,;14.26,-5.17,;9.44,-4.93,;9.44,-6.45,;8.09,-7.22,;6.74,-6.45,;5.4,-7.22,;4.07,-6.45,;4.07,-4.94,;5.4,-4.15,;6.74,-4.9,)| Show InChI InChI=1S/C16H18N2O2/c19-16(13-9-17-14-4-2-1-3-12(13)14)20-15-10-18-7-5-11(15)6-8-18/h1-4,9,11,15,17H,5-8,10H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Mus musculus) | BDBM50096712
(3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...)Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5| Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1 | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Mus musculus) | BDBM50108392
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+ | PDB
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| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Mus musculus) | BDBM50096711
(CHEMBL320963 | Indole-1-carboxylic acid 1-aza-bicy...)Show SMILES O=C(OC1CN2CCC1CC2)n1ccc2ccccc12 |THB:2:3:9.10:7.6,(7.39,-10.08,;8.5,-8.89,;9.81,-9.66,;11.07,-10.94,;10.28,-12.18,;11.95,-11.29,;13.58,-12.25,;14.4,-11.1,;12.81,-10.15,;12.81,-9.03,;11.95,-9.89,;8.08,-7.22,;9.43,-6.44,;9.43,-4.92,;6.74,-4.9,;5.39,-4.15,;4.07,-4.93,;4.07,-6.44,;5.39,-7.22,;6.74,-6.44,)| Show InChI InChI=1S/C16H18N2O2/c19-16(18-10-7-12-3-1-2-4-14(12)18)20-15-11-17-8-5-13(15)6-9-17/h1-4,7,10,13,15H,5-6,8-9,11H2 | PDB
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| CHEMBL
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UniChem
| PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093255
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)Show SMILES O=C1NCC2(CN3CCC2CC3)O1 |(13.73,-1.27,;14.13,.22,;13.16,1.42,;14.01,2.72,;15.5,2.31,;15.5,3.85,;16.83,4.63,;18.16,3.85,;18.16,2.31,;16.83,1.55,;16.25,2.54,;17.59,3.3,;15.58,.77,)| Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12) | PDB
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| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093255
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)Show SMILES O=C1NCC2(CN3CCC2CC3)O1 |(13.73,-1.27,;14.13,.22,;13.16,1.42,;14.01,2.72,;15.5,2.31,;15.5,3.85,;16.83,4.63,;18.16,3.85,;18.16,2.31,;16.83,1.55,;16.25,2.54,;17.59,3.3,;15.58,.77,)| Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12) | PDB
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| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50093259
(3'-Ethylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxazo...)Show SMILES CCN1CC2(CN3CCC2CC3)OC1=O |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(7.97,-7.56,;8.38,-6.07,;7.29,-4.98,;5.75,-4.98,;5.26,-3.5,;4.15,-4.09,;3.57,-2.87,;1.98,-3.39,;2.56,-2.35,;4.27,-1.93,;4.63,-.97,;3.57,-1.7,;6.52,-2.59,;7.77,-3.5,;9.25,-3.03,)| Show InChI InChI=1S/C11H18N2O2/c1-2-13-8-11(15-10(13)14)7-12-5-3-9(11)4-6-12/h9H,2-8H2,1H3 | PDB
MMDB
KEGG
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| CHEMBL
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UniChem
Similars
| PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)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
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093253
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)Show SMILES CN1CC2(CN3CCC2CC3)OC1=O |TLB:2:3:9.10:7.6,THB:11:3:9.10:7.6,(8.37,-6.07,;7.28,-4.97,;5.74,-4.97,;5.25,-3.5,;4.14,-4.08,;3.57,-2.86,;1.97,-3.38,;2.56,-2.34,;4.26,-1.93,;4.62,-.97,;3.57,-1.69,;6.51,-2.58,;7.76,-3.5,;9.23,-3.02,)| Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3 | PDB
Reactome pathway
KEGG
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UniChem
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093253
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)Show SMILES CN1CC2(CN3CCC2CC3)OC1=O |TLB:2:3:9.10:7.6,THB:11:3:9.10:7.6,(8.37,-6.07,;7.28,-4.97,;5.74,-4.97,;5.25,-3.5,;4.14,-4.08,;3.57,-2.86,;1.97,-3.38,;2.56,-2.34,;4.26,-1.93,;4.62,-.97,;3.57,-1.69,;6.51,-2.58,;7.76,-3.5,;9.23,-3.02,)| Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50124408
(CHEMBL2165266)Show SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)\C(=C/c2ccc(o2)-c2ccccc2)C1=O Show InChI InChI=1S/C23H18N2O4/c1-14-10-15(2)12-17(11-14)25-22(27)19(21(26)24-23(25)28)13-18-8-9-20(29-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,26,28)/b19-13+ | PDB
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| Article
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| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Alabama
Curated by ChEMBL
| Assay Description
Inhibition of fatty acid synthase KE domain (unknown origin) |
Bioorg Med Chem Lett 25: 4363-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.087
BindingDB Entry DOI: 10.7270/Q2057HR2 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50093253
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)Show SMILES CN1CC2(CN3CCC2CC3)OC1=O |TLB:2:3:9.10:7.6,THB:11:3:9.10:7.6,(8.37,-6.07,;7.28,-4.97,;5.74,-4.97,;5.25,-3.5,;4.14,-4.08,;3.57,-2.86,;1.97,-3.38,;2.56,-2.34,;4.26,-1.93,;4.62,-.97,;3.57,-1.69,;6.51,-2.58,;7.76,-3.5,;9.23,-3.02,)| Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3 | PDB
MMDB
KEGG
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| CHEMBL
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UniChem
Similars
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| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50093253
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)Show SMILES CN1CC2(CN3CCC2CC3)OC1=O |TLB:2:3:9.10:7.6,THB:11:3:9.10:7.6,(8.37,-6.07,;7.28,-4.97,;5.74,-4.97,;5.25,-3.5,;4.14,-4.08,;3.57,-2.86,;1.97,-3.38,;2.56,-2.34,;4.26,-1.93,;4.62,-.97,;3.57,-1.69,;6.51,-2.58,;7.76,-3.5,;9.23,-3.02,)| Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3 | PDB
MMDB
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PC sid
UniChem
Similars
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| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show 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
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| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-7
(Mus musculus) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)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
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| PDB
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093251
(CHEMBL338698 | Spiro[1-azabicyclo[2.2.2]octane-3,5...)Show SMILES O=C1OCC2(CN3CCC2CC3)O1 |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(9.83,-3.22,;8.26,-3.72,;7.75,-5.29,;6.11,-5.29,;5.59,-3.72,;4.41,-4.35,;3.8,-3.05,;2.1,-3.6,;2.73,-2.49,;4.54,-2.05,;4.92,-1.03,;3.8,-1.8,;6.93,-2.75,)| Show InChI InChI=1S/C9H13NO3/c11-8-12-6-9(13-8)5-10-3-1-7(9)2-4-10/h7H,1-6H2 | PDB
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| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093259
(3'-Ethylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxazo...)Show SMILES CCN1CC2(CN3CCC2CC3)OC1=O |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(7.97,-7.56,;8.38,-6.07,;7.29,-4.98,;5.75,-4.98,;5.26,-3.5,;4.15,-4.09,;3.57,-2.87,;1.98,-3.39,;2.56,-2.35,;4.27,-1.93,;4.63,-.97,;3.57,-1.7,;6.52,-2.59,;7.77,-3.5,;9.25,-3.03,)| Show InChI InChI=1S/C11H18N2O2/c1-2-13-8-11(15-10(13)14)7-12-5-3-9(11)4-6-12/h9H,2-8H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50006245
(CHEMBL59587 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand. |
J Med Chem 38: 1558-70 (1995)
Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50470758
(CHEMBL1794941)Show SMILES OC(=O)C(O)=O.OC(=O)\C=C/C(O)=O.CC1OC2(CCN(C)CC2)C2SCCSC12 Show InChI InChI=1S/C12H21NOS2.C4H4O4.C2H2O4/c1-9-10-11(16-8-7-15-10)12(14-9)3-5-13(2)6-4-12;5-3(6)1-2-4(7)8;3-1(4)2(5)6/h9-11H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);(H,3,4)(H,5,6)/b;2-1-; | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand. |
J Med Chem 38: 1558-70 (1995)
Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50470759
(CHEMBL1794940)Show SMILES OC(=O)C(O)=O.OC(=O)\C=C/C(O)=O.CC1OC2(CCN(C)CC2)C2OCCOC12 Show InChI InChI=1S/C12H21NO3.C4H4O4.C2H2O4/c1-9-10-11(15-8-7-14-10)12(16-9)3-5-13(2)6-4-12;5-3(6)1-2-4(7)8;3-1(4)2(5)6/h9-11H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);(H,3,4)(H,5,6)/b;2-1-; | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand. |
J Med Chem 38: 1558-70 (1995)
Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50470766
(CHEMBL40032)Show InChI InChI=1S/C10H18N2O2/c1-8-9(11-13)7-10(14-8)3-5-12(2)6-4-10/h8,13H,3-7H2,1-2H3/b11-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand. |
J Med Chem 38: 1558-70 (1995)
Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50093251
(CHEMBL338698 | Spiro[1-azabicyclo[2.2.2]octane-3,5...)Show SMILES O=C1OCC2(CN3CCC2CC3)O1 |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(9.83,-3.22,;8.26,-3.72,;7.75,-5.29,;6.11,-5.29,;5.59,-3.72,;4.41,-4.35,;3.8,-3.05,;2.1,-3.6,;2.73,-2.49,;4.54,-2.05,;4.92,-1.03,;3.8,-1.8,;6.93,-2.75,)| Show InChI InChI=1S/C9H13NO3/c11-8-12-6-9(13-8)5-10-3-1-7(9)2-4-10/h7H,1-6H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50096712
(3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...)Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5| Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50284961
((S)-2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one...)Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement as... |
Bioorg Med Chem Lett 5: 1813-1818 (1995)
Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50470770
(CHEMBL40063)Show InChI InChI=1S/C11H19NO2/c1-3-10-9(13)8-11(14-10)4-6-12(2)7-5-11/h10H,3-8H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand. |
J Med Chem 38: 1558-70 (1995)
Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50096713
(1H-Indole-3-carboxylic acid 1-aza-bicyclo[2.2.2]oc...)Show SMILES O=C(OC1CN2CCC1CC2)c1c[nH]c2ccccc12 |THB:2:3:9.10:7.6,(10.78,-2.61,;10.78,-4.18,;12.1,-4.96,;13.37,-6.22,;12.58,-7.47,;14.26,-6.58,;15.87,-7.55,;16.69,-6.38,;15.12,-5.43,;15.11,-4.33,;14.26,-5.17,;9.44,-4.93,;9.44,-6.45,;8.09,-7.22,;6.74,-6.45,;5.4,-7.22,;4.07,-6.45,;4.07,-4.94,;5.4,-4.15,;6.74,-4.9,)| Show InChI InChI=1S/C16H18N2O2/c19-16(13-9-17-14-4-2-1-3-12(13)14)20-15-10-18-7-5-11(15)6-8-18/h1-4,9,11,15,17H,5-8,10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-1-beta-1-gamma-delta nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50034651
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand. |
J Med Chem 38: 1558-70 (1995)
Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420 |
More data for this
Ligand-Target Pair | |
Acetylcholine receptor subunit alpha/beta/delta/gamma
(Homo sapiens (Human)) | BDBM50096712
(3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...)Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5| Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Mus musculus) | BDBM85330
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50008072
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in ra... |
Bioorg Med Chem Lett 5: 1813-1818 (1995)
Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50008072
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand. |
J Med Chem 38: 1558-70 (1995)
Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093260
(CHEMBL133295 | Spiro[1-azabicyclo[2.2.2]octane-3,5...)Show SMILES O=C1CCC2(CN3CCC2CC3)O1 |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(9.2,-3.01,;7.73,-3.48,;7.26,-4.95,;5.72,-4.95,;5.23,-3.48,;4.13,-4.07,;3.55,-2.85,;1.97,-3.37,;2.55,-2.33,;4.25,-1.92,;4.6,-.96,;3.55,-1.69,;6.49,-2.57,)| Show InChI InChI=1S/C10H15NO2/c12-9-1-4-10(13-9)7-11-5-2-8(10)3-6-11/h8H,1-7H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50034651
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in ra... |
Bioorg Med Chem Lett 5: 1813-1818 (1995)
Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093257
(CHEMBL131574 | Spiro[1-azabicyclo[2.2.2]octane-3,4...)Show SMILES O=C1CC2(CN1)CN1CCC2CC1 |TLB:4:3:11.12:9.8,THB:2:3:11.12:9.8,(9.19,-3.01,;7.72,-3.48,;6.48,-2.57,;5.23,-3.48,;5.71,-4.95,;7.25,-4.95,;4.13,-4.06,;3.55,-2.85,;1.97,-3.36,;2.55,-2.33,;4.24,-1.92,;4.6,-.96,;3.55,-1.69,)| Show InChI InChI=1S/C10H16N2O/c13-9-5-10(6-11-9)7-12-3-1-8(10)2-4-12/h8H,1-7H2,(H,11,13) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50284961
((S)-2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one...)Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m0/s1 | Reactome pathway
KEGG
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CHEMBL
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Similars
| Article
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in ra... |
Bioorg Med Chem Lett 5: 1813-1818 (1995)
Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093256
(CHEMBL130205 | Spiro[1-azabicyclo[2.2.2]octane-3,4...)Show SMILES O=C1NC2(CO1)CN1CCC2CC1 |TLB:4:3:11.12:9.8,THB:2:3:11.12:9.8,(24.72,-6.48,;23.15,-7,;21.81,-6.02,;20.48,-7,;20.98,-8.57,;22.63,-8.57,;19.28,-7.62,;18.67,-6.32,;16.97,-6.87,;17.6,-5.76,;19.41,-5.32,;19.8,-4.3,;18.67,-5.07,)| Show InChI InChI=1S/C9H14N2O2/c12-8-10-9(6-13-8)5-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12) | PDB
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| >4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50034651
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3 | PDB
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Similars
| Article
| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement as... |
Bioorg Med Chem Lett 5: 1813-1818 (1995)
Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ |
More data for this
Ligand-Target Pair | |
Acetylcholine receptor subunit alpha/beta/delta/gamma
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)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
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KEGG
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Similars
| PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM46858
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3 | PDB
MMDB
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Reactome pathway
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UniChem
Similars
| Article
PubMed
| 7.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand. |
J Med Chem 38: 1558-70 (1995)
Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50096712
(3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...)Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5| Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT) | BDBM50034625
(Aceclidine | Acetic acid 1-aza-bicyclo[2.2.2]oct-3...)Show SMILES CC(=O)OC1CN2CCC1CC2 |(10.76,-5.27,;9.32,-4.51,;9.32,-2.9,;7.94,-5.34,;6.53,-4.61,;6.53,-3.08,;5.18,-2.29,;4.35,-3.24,;4.35,-4.51,;5.2,-5.39,;3.85,-4.62,;3.85,-3.08,)| Show InChI InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 8.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fisons Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand. |
J Med Chem 38: 1558-70 (1995)
Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093255
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)Show SMILES O=C1NCC2(CN3CCC2CC3)O1 |(13.73,-1.27,;14.13,.22,;13.16,1.42,;14.01,2.72,;15.5,2.31,;15.5,3.85,;16.83,4.63,;18.16,3.85,;18.16,2.31,;16.83,1.55,;16.25,2.54,;17.59,3.3,;15.58,.77,)| Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12) | PDB
Reactome pathway
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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Similars
| PubMed
| 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50008072
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1 | PDB
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Similars
| Article
| 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement as... |
Bioorg Med Chem Lett 5: 1813-1818 (1995)
Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Mus musculus) | BDBM50000483
((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...)Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-7 nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50093252
(CHEMBL422259 | Spiro[1-azabicyclo[2.2.2]octane-3,4...)Show SMILES O=C1NCC2(CN3CCC2CC3)N1 |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(24.72,-6.48,;23.15,-7,;22.63,-8.57,;20.98,-8.57,;20.48,-7,;19.28,-7.62,;18.67,-6.32,;16.97,-6.87,;17.6,-5.76,;19.41,-5.32,;19.8,-4.3,;18.67,-5.07,;21.81,-6.02,)| Show InChI InChI=1S/C9H15N3O/c13-8-10-5-9(11-8)6-12-3-1-7(9)2-4-12/h7H,1-6H2,(H2,10,11,13) | PDB
MMDB
KEGG
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| CHEMBL
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UniChem
Similars
| PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093252
(CHEMBL422259 | Spiro[1-azabicyclo[2.2.2]octane-3,4...)Show SMILES O=C1NCC2(CN3CCC2CC3)N1 |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(24.72,-6.48,;23.15,-7,;22.63,-8.57,;20.98,-8.57,;20.48,-7,;19.28,-7.62,;18.67,-6.32,;16.97,-6.87,;17.6,-5.76,;19.41,-5.32,;19.8,-4.3,;18.67,-5.07,;21.81,-6.02,)| Show InChI InChI=1S/C9H15N3O/c13-8-10-5-9(11-8)6-12-3-1-7(9)2-4-12/h7H,1-6H2,(H2,10,11,13) | PDB
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| CHEMBL
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| >1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50093258
(3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,4'-2H-t...)Show SMILES CN1C(=O)NCC11CN2CCC1CC2 |TLB:5:6:12.13:10.9,THB:1:6:12.13:10.9,(20.42,-4.1,;20.42,-5.64,;21.67,-6.55,;23.15,-6.07,;21.19,-8.03,;19.64,-8.03,;19.18,-6.55,;18.05,-7.14,;17.48,-5.92,;15.89,-6.44,;16.48,-5.39,;18.17,-4.98,;18.54,-4.03,;17.48,-4.75,)| Show InChI InChI=1S/C10H17N3O/c1-12-9(14)11-6-10(12)7-13-4-2-8(10)3-5-13/h8H,2-7H2,1H3,(H,11,14) | PDB
Reactome pathway
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| CHEMBL
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UniChem
Similars
| PubMed
| >1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7 |
J Med Chem 43: 4045-50 (2000)
BindingDB Entry DOI: 10.7270/Q24Q7T88 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50096711
(CHEMBL320963 | Indole-1-carboxylic acid 1-aza-bicy...)Show SMILES O=C(OC1CN2CCC1CC2)n1ccc2ccccc12 |THB:2:3:9.10:7.6,(7.39,-10.08,;8.5,-8.89,;9.81,-9.66,;11.07,-10.94,;10.28,-12.18,;11.95,-11.29,;13.58,-12.25,;14.4,-11.1,;12.81,-10.15,;12.81,-9.03,;11.95,-9.89,;8.08,-7.22,;9.43,-6.44,;9.43,-4.92,;6.74,-4.9,;5.39,-4.15,;4.07,-4.93,;4.07,-6.44,;5.39,-7.22,;6.74,-6.44,)| Show InChI InChI=1S/C16H18N2O2/c19-16(18-10-7-12-3-1-2-4-14(12)18)20-15-11-17-8-5-13(15)6-9-17/h1-4,7,10,13,15H,5-6,8-9,11H2 | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
In vitro Binding affinity towards alpha-1-beta-1-gamma-delta nAChR was determined |
Bioorg Med Chem Lett 11: 319-21 (2001)
BindingDB Entry DOI: 10.7270/Q2028S36 |
More data for this
Ligand-Target Pair | |
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