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Compile Data Set for Download or QSAR

Found 753 hits with Last Name = 'johansson' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.0450n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.0510n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.240n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036185
PNG
(3-(2'-Benzofuranyl)-quinuclidine-2-ene | 3-Benzofu...)
Show SMILES C1CN2CCC1C(=C2)c1cc2ccccc2o1
Show InChI InChI=1S/C15H15NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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9.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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14n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036185
PNG
(3-(2'-Benzofuranyl)-quinuclidine-2-ene | 3-Benzofu...)
Show SMILES C1CN2CCC1C(=C2)c1cc2ccccc2o1
Show InChI InChI=1S/C15H15NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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31n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036195
PNG
(3-Benzofuran-3-yl-1-aza-bicyclo[2.2.2]oct-2-ene | ...)
Show SMILES C1CN2CCC1C(=C2)c1coc2ccccc12
Show InChI InChI=1S/C15H15NO/c1-2-4-15-12(3-1)14(10-17-15)13-9-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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34n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036173
PNG
(3-Benzo[b]thiophen-3-yl-1-aza-bicyclo[2.2.2]oct-2-...)
Show SMILES C1CN2CCC1C(=C2)c1csc2ccccc12
Show InChI InChI=1S/C15H15NS/c1-2-4-15-12(3-1)14(10-17-15)13-9-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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37n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036171
PNG
(3-Benzofuran-2-yl-1-aza-bicyclo[2.2.2]octane | CHE...)
Show SMILES C1CN2CCC1C(C2)c1cc2ccccc2o1
Show InChI InChI=1/C15H17NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9,11,13H,5-8,10H2
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57n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036175
PNG
(3-(2,3-Dihydro-benzofuran-2-yl)-1-aza-bicyclo[2.2....)
Show SMILES C1C(Oc2ccccc12)C1CN2CCC1CC2
Show InChI InChI=1/C15H19NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,11,13,15H,5-10H2
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59n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50036185
PNG
(3-(2'-Benzofuranyl)-quinuclidine-2-ene | 3-Benzofu...)
Show SMILES C1CN2CCC1C(=C2)c1cc2ccccc2o1
Show InChI InChI=1S/C15H15NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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59n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036183
PNG
(3-(2'-Benzothiophenyl)-quinuclidine-2-ene | 3-Benz...)
Show SMILES C1CN2CCC1C(=C2)c1cc2ccccc2s1
Show InChI InChI=1S/C15H15NS/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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81n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036173
PNG
(3-Benzo[b]thiophen-3-yl-1-aza-bicyclo[2.2.2]oct-2-...)
Show SMILES C1CN2CCC1C(=C2)c1csc2ccccc12
Show InChI InChI=1S/C15H15NS/c1-2-4-15-12(3-1)14(10-17-15)13-9-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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96n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036195
PNG
(3-Benzofuran-3-yl-1-aza-bicyclo[2.2.2]oct-2-ene | ...)
Show SMILES C1CN2CCC1C(=C2)c1coc2ccccc12
Show InChI InChI=1S/C15H15NO/c1-2-4-15-12(3-1)14(10-17-15)13-9-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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99n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036190
PNG
(3-Benzooxazol-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene |...)
Show SMILES C1CN2CCC1C(=C2)c1nc2ccccc2o1
Show InChI InChI=1S/C14H14N2O/c1-2-4-13-12(3-1)15-14(17-13)11-9-16-7-5-10(11)6-8-16/h1-4,9-10H,5-8H2
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100n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50036173
PNG
(3-Benzo[b]thiophen-3-yl-1-aza-bicyclo[2.2.2]oct-2-...)
Show SMILES C1CN2CCC1C(=C2)c1csc2ccccc12
Show InChI InChI=1S/C15H15NS/c1-2-4-15-12(3-1)14(10-17-15)13-9-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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110n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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110n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50036195
PNG
(3-Benzofuran-3-yl-1-aza-bicyclo[2.2.2]oct-2-ene | ...)
Show SMILES C1CN2CCC1C(=C2)c1coc2ccccc12
Show InChI InChI=1S/C15H15NO/c1-2-4-15-12(3-1)14(10-17-15)13-9-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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160n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036175
PNG
(3-(2,3-Dihydro-benzofuran-2-yl)-1-aza-bicyclo[2.2....)
Show SMILES C1C(Oc2ccccc12)C1CN2CCC1CC2
Show InChI InChI=1/C15H19NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,11,13,15H,5-10H2
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160n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036170
PNG
(3-Benzothiazol-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene ...)
Show SMILES C1CN2CCC1C(=C2)c1nc2ccccc2s1
Show InChI InChI=1S/C14H14N2S/c1-2-4-13-12(3-1)15-14(17-13)11-9-16-7-5-10(11)6-8-16/h1-4,9-10H,5-8H2
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170n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190543
PNG
(1-((2R,4S,5R)-4-hydroxy-5-((tritylamino)methyl)-te...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/s2
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200n/an/an/an/an/an/an/an/a



University of Wales Cardiff

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum dUTPase


Eur J Med Chem 44: 678-88 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.018
BindingDB Entry DOI: 10.7270/Q20K28CG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173577
PNG
(1-{4-Hydroxy-5-[(trityl-amino)-methyl]-tetrahydro-...)
Show SMILES OC1CC(OC1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)
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200n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory constant against Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells


J Med Chem 48: 5942-54 (2005)


Article DOI: 10.1021/jm050111e
BindingDB Entry DOI: 10.7270/Q2Z320DG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036171
PNG
(3-Benzofuran-2-yl-1-aza-bicyclo[2.2.2]octane | CHE...)
Show SMILES C1CN2CCC1C(C2)c1cc2ccccc2o1
Show InChI InChI=1/C15H17NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9,11,13H,5-8,10H2
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200n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190556
PNG
(1-(3-tritylaminopropyl)uracil | CHEMBL211905)
Show SMILES O=c1ccn(CCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C26H25N3O2/c30-24-17-20-29(25(31)28-24)19-10-18-27-26(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-17,20,27H,10,18-19H2,(H,28,30,31)
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200n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum dUTPase


J Med Chem 49: 4183-95 (2006)


Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0
More data for this
Ligand-Target Pair
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190543
PNG
(1-((2R,4S,5R)-4-hydroxy-5-((tritylamino)methyl)-te...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/s2
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200n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum dUTPase


J Med Chem 49: 4183-95 (2006)


Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036193
PNG
(3-(2-Methoxy-phenyl)-1-aza-bicyclo[2.2.2]oct-2-ene...)
Show SMILES COc1ccccc1C1=CN2CCC1CC2
Show InChI InChI=1S/C14H17NO/c1-16-14-5-3-2-4-12(14)13-10-15-8-6-11(13)7-9-15/h2-5,10-11H,6-9H2,1H3
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220n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50036171
PNG
(3-Benzofuran-2-yl-1-aza-bicyclo[2.2.2]octane | CHE...)
Show SMILES C1CN2CCC1C(C2)c1cc2ccccc2o1
Show InChI InChI=1/C15H17NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9,11,13H,5-8,10H2
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240n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190549
PNG
(1-[4-hydroxy-3-(tritylaminomethyl)butyl]uracil | C...)
Show SMILES OCC(CCn1ccc(=O)[nH]c1=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C28H29N3O3/c32-21-22(16-18-31-19-17-26(33)30-27(31)34)20-29-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,17,19,22,29,32H,16,18,20-21H2,(H,30,33,34)
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240n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum dUTPase


J Med Chem 49: 4183-95 (2006)


Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036183
PNG
(3-(2'-Benzothiophenyl)-quinuclidine-2-ene | 3-Benz...)
Show SMILES C1CN2CCC1C(=C2)c1cc2ccccc2s1
Show InChI InChI=1S/C15H15NS/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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270n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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270n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036182
PNG
(3-Thiophen-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CH...)
Show SMILES C1CN2CCC1C(=C2)c1cccs1
Show InChI InChI=1S/C11H13NS/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7-9H,3-6H2
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290n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036196
PNG
(3-Furan-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CHEMB...)
Show SMILES C1CN2CCC1C(=C2)c1ccco1
Show InChI InChI=1S/C11H13NO/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7-9H,3-6H2
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300n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036194
PNG
(2-(1-Aza-bicyclo[2.2.2]oct-2-en-3-yl)-phenol | CHE...)
Show SMILES Oc1ccccc1C1=CN2CCC1CC2
Show InChI InChI=1S/C13H15NO/c15-13-4-2-1-3-11(13)12-9-14-7-5-10(12)6-8-14/h1-4,9-10,15H,5-8H2
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330n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50036175
PNG
(3-(2,3-Dihydro-benzofuran-2-yl)-1-aza-bicyclo[2.2....)
Show SMILES C1C(Oc2ccccc12)C1CN2CCC1CC2
Show InChI InChI=1/C15H19NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,11,13,15H,5-10H2
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340n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036194
PNG
(2-(1-Aza-bicyclo[2.2.2]oct-2-en-3-yl)-phenol | CHE...)
Show SMILES Oc1ccccc1C1=CN2CCC1CC2
Show InChI InChI=1S/C13H15NO/c15-13-4-2-1-3-11(13)12-9-14-7-5-10(12)6-8-14/h1-4,9-10,15H,5-8H2
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360n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036163
PNG
(3-Benzofuran-2-yl-1-methyl-1-azonia-bicyclo[2.2.2]...)
Show SMILES C[N+]12CCC(CC1)C(=C2)c1cc2ccccc2o1
Show InChI InChI=1S/C16H18NO/c1-17-8-6-12(7-9-17)14(11-17)16-10-13-4-2-3-5-15(13)18-16/h2-5,10-12H,6-9H2,1H3/q+1
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360n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036196
PNG
(3-Furan-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CHEMB...)
Show SMILES C1CN2CCC1C(=C2)c1ccco1
Show InChI InChI=1S/C11H13NO/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7-9H,3-6H2
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390n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036190
PNG
(3-Benzooxazol-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene |...)
Show SMILES C1CN2CCC1C(=C2)c1nc2ccccc2o1
Show InChI InChI=1S/C14H14N2O/c1-2-4-13-12(3-1)15-14(17-13)11-9-16-7-5-10(11)6-8-16/h1-4,9-10H,5-8H2
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400n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036169
PNG
(3-Selenophen-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene | ...)
Show SMILES C1CN2CCC1C(=C2)c1ccc[se]1
Show InChI InChI=1S/C11H13NSe/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7-9H,3-6H2
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410n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036193
PNG
(3-(2-Methoxy-phenyl)-1-aza-bicyclo[2.2.2]oct-2-ene...)
Show SMILES COc1ccccc1C1=CN2CCC1CC2
Show InChI InChI=1S/C14H17NO/c1-16-14-5-3-2-4-12(14)13-10-15-8-6-11(13)7-9-15/h2-5,10-11H,6-9H2,1H3
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410n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50036183
PNG
(3-(2'-Benzothiophenyl)-quinuclidine-2-ene | 3-Benz...)
Show SMILES C1CN2CCC1C(=C2)c1cc2ccccc2s1
Show InChI InChI=1S/C15H15NS/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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420n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036175
PNG
(3-(2,3-Dihydro-benzofuran-2-yl)-1-aza-bicyclo[2.2....)
Show SMILES C1C(Oc2ccccc12)C1CN2CCC1CC2
Show InChI InChI=1/C15H19NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,11,13,15H,5-10H2
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440n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036163
PNG
(3-Benzofuran-2-yl-1-methyl-1-azonia-bicyclo[2.2.2]...)
Show SMILES C[N+]12CCC(CC1)C(=C2)c1cc2ccccc2o1
Show InChI InChI=1S/C16H18NO/c1-17-8-6-12(7-9-17)14(11-17)16-10-13-4-2-3-5-15(13)18-16/h2-5,10-12H,6-9H2,1H3/q+1
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460n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036192
PNG
(3-Benzofuran-2-yl-1-methyl-1-azonia-bicyclo[2.2.2]...)
Show SMILES C[N+]12CCC(CC1)C(C2)c1cc2ccccc2o1
Show InChI InChI=1/C16H20NO/c1-17-8-6-12(7-9-17)14(11-17)16-10-13-4-2-3-5-15(13)18-16/h2-5,10,12,14H,6-9,11H2,1H3/q+1
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520n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036191
PNG
(3-Furan-2-yl-1-aza-bicyclo[2.2.2]octane | CHEMBL14...)
Show SMILES C1CN2CCC1C(C2)c1ccco1
Show InChI InChI=1/C11H15NO/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7,9-10H,3-6,8H2
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540n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036170
PNG
(3-Benzothiazol-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene ...)
Show SMILES C1CN2CCC1C(=C2)c1nc2ccccc2s1
Show InChI InChI=1S/C14H14N2S/c1-2-4-13-12(3-1)15-14(17-13)11-9-16-7-5-10(11)6-8-16/h1-4,9-10H,5-8H2
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600n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190552
PNG
(1-[(E)-4-trityloxy-2-butenyl]uracil | CHEMBL209610)
Show SMILES O=c1ccn(C\C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C27H24N2O3/c30-25-18-20-29(26(31)28-25)19-10-11-21-32-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-18,20H,19,21H2,(H,28,30,31)/b11-10+
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MMDB

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600n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum dUTPase


J Med Chem 49: 4183-95 (2006)


Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036182
PNG
(3-Thiophen-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CH...)
Show SMILES C1CN2CCC1C(=C2)c1cccs1
Show InChI InChI=1S/C11H13NS/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7-9H,3-6H2
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620n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190553
PNG
(1-[2-(trityloxy)ethoxymethyl]uracil | CHEMBL424704...)
Show SMILES O=c1ccn(COCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C26H24N2O4/c29-24-16-17-28(25(30)27-24)20-31-18-19-32-26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17H,18-20H2,(H,27,29,30)
PDB
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700n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum dUTPase


J Med Chem 49: 4183-95 (2006)


Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036165
PNG
(3-Thiophen-3-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CH...)
Show SMILES C1CN2CCC1C(=C2)c1ccsc1
Show InChI InChI=1S/C11H13NS/c1-4-12-5-2-9(1)11(7-12)10-3-6-13-8-10/h3,6-9H,1-2,4-5H2
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PubMed
710n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
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