Found 272 hits with Last Name = 'loch' and Initial = 'j' 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
(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
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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-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
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antibodypedia
antibodypedia
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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
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-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
| 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-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 | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50227815
(Flavodilol)Show InChI InChI=1S/C21H23NO4/c1-2-10-22-13-16(23)14-25-17-8-9-18-19(24)12-20(26-21(18)11-17)15-6-4-3-5-7-15/h3-9,11-12,16,22-23H,2,10,13-14H2,1H3 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pennwalt Corporation
Curated by ChEMBL
| Assay Description
Inhibition constant from beta adrenergic receptor binding assay |
J Med Chem 32: 183-92 (1989)
BindingDB Entry DOI: 10.7270/Q2474D33 |
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
Reactome pathway
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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
Reactome pathway
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| CHEMBL
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| 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
Reactome pathway
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CHEMBL
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PC cid
PC sid
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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
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| 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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| CHEMBL
PC cid
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 | |
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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GoogleScholar
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PC cid
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 | |
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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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 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
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PC sid
UniChem
Similars
| PubMed
| 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
Reactome pathway
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| PDB
PubMed
| 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
Reactome pathway
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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
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
| PubMed
| 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 | |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM50001285
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+ | PDB
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of MRP1-mediated transport of [3H]LTC4 expressed in human HeLa T5 cells by liquid scintillation counting |
J Med Chem 52: 4586-95 (2009)
Article DOI: 10.1021/jm900688v
BindingDB Entry DOI: 10.7270/Q22V2G46 |
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
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| 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
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| 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
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| PC cid
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| 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
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| PC cid
PC sid
UniChem
| Article
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| 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 | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50227820
(CHEMBL57544)Show InChI InChI=1S/C21H21NO4/c23-16(12-22-15-6-7-15)13-25-17-8-9-18-19(24)11-20(26-21(18)10-17)14-4-2-1-3-5-14/h1-5,8-11,15-16,22-23H,6-7,12-13H2 | PDB
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| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pennwalt Corporation
Curated by ChEMBL
| Assay Description
Inhibition constant from beta adrenergic receptor binding assay |
J Med Chem 32: 183-92 (1989)
BindingDB Entry DOI: 10.7270/Q2474D33 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pennwalt Corporation
Curated by ChEMBL
| Assay Description
Inhibition constant from beta adrenergic receptor binding assay |
J Med Chem 32: 183-92 (1989)
BindingDB Entry DOI: 10.7270/Q2474D33 |
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
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| PC cid
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| 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 | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50227814
(CHEMBL291999)Show InChI InChI=1S/C21H23NO4/c1-14(2)22-12-16(23)13-25-17-8-9-20-18(10-17)19(24)11-21(26-20)15-6-4-3-5-7-15/h3-11,14,16,22-23H,12-13H2,1-2H3 | PDB
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| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pennwalt Corporation
Curated by ChEMBL
| Assay Description
Inhibition constant from beta adrenergic receptor binding assay |
J Med Chem 32: 183-92 (1989)
BindingDB Entry DOI: 10.7270/Q2474D33 |
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
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| 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
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| 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
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| 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
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Reactome pathway
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| PC cid
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| Article
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| 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
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| 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
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| 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
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| 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
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| >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
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| 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
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| 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
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| 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
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| 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
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes |
Bioorg Med Chem Lett 6: 2525-2530 (1996)
Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B |
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
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| 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
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| 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
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| 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
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| >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 M1
(RAT) | BDBM50288143
(4-Cyclohexyl-benzoic acid [2,8-dimethyl-1-oxa-8-az...)Show SMILES CC1OC2(CC1=NNC(=O)c1ccc(cc1)C1CCCCC1)CCN(C)CC2 |w:6.7| Show InChI InChI=1S/C23H33N3O2/c1-17-21(16-23(28-17)12-14-26(2)15-13-23)24-25-22(27)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,17-18H,3-7,12-16H2,1-2H3,(H,25,27) | Reactome pathway
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| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes |
Bioorg Med Chem Lett 6: 2525-2530 (1996)
Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B |
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
Reactome pathway
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| 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 | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50227817
(CHEMBL57611)Show SMILES OC(CNC1CCCCC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C24H27NO4/c26-19(15-25-18-9-5-2-6-10-18)16-28-20-11-12-21-22(27)14-23(29-24(21)13-20)17-7-3-1-4-8-17/h1,3-4,7-8,11-14,18-19,25-26H,2,5-6,9-10,15-16H2 | PDB
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| CHEMBL
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| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pennwalt Corporation
Curated by ChEMBL
| Assay Description
Inhibition constant obtained from beta adrenergic receptor binding assay |
J Med Chem 32: 183-92 (1989)
BindingDB Entry DOI: 10.7270/Q2474D33 |
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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| 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
NCI pathway
Reactome pathway
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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 | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50227819
(CHEMBL273690)Show InChI InChI=1S/C21H23NO4/c1-14(2)22-12-16(23)13-25-19-10-6-9-17-18(24)11-20(26-21(17)19)15-7-4-3-5-8-15/h3-11,14,16,22-23H,12-13H2,1-2H3 | PDB
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| CHEMBL
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UniChem
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| 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pennwalt Corporation
Curated by ChEMBL
| Assay Description
Inhibition constant from beta adrenergic receptor binding assay |
J Med Chem 32: 183-92 (1989)
BindingDB Entry DOI: 10.7270/Q2474D33 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50227816
(CHEMBL57659)Show InChI InChI=1S/C20H21NO4/c1-2-21-12-15(22)13-24-16-8-9-17-18(23)11-19(25-20(17)10-16)14-6-4-3-5-7-14/h3-11,15,21-22H,2,12-13H2,1H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pennwalt Corporation
Curated by ChEMBL
| Assay Description
Inhibition constant from beta adrenergic receptor binding assay |
J Med Chem 32: 183-92 (1989)
BindingDB Entry DOI: 10.7270/Q2474D33 |
More data for this
Ligand-Target Pair | |
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