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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50004093   
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 M5


(RAT)
BDBM50028290
PNG
((+)-cis-2-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-...)
Show SMILES CN1CCN2CC(c3ccccc3)c3ccccc3C2C1
Show InChI InChI=1S/C19H22N2/c1-20-11-12-21-13-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19(21)14-20/h2-10,18-19H,11-14H2,1H3
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028290
PNG
((+)-cis-2-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-...)
Show SMILES CN1CCN2CC(c3ccccc3)c3ccccc3C2C1
Show InChI InChI=1S/C19H22N2/c1-20-11-12-21-13-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19(21)14-20/h2-10,18-19H,11-14H2,1H3
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028290
PNG
((+)-cis-2-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-...)
Show SMILES CN1CCN2CC(c3ccccc3)c3ccccc3C2C1
Show InChI InChI=1S/C19H22N2/c1-20-11-12-21-13-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19(21)14-20/h2-10,18-19H,11-14H2,1H3
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n/an/a 430n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]quinuclidinyl benzilate (0.8 nM) in vitro to membran...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028294
PNG
(CHEMBL6445 | cis-7-Phenyl-1,3,4,6,7,11b-hexahydro-...)
Show SMILES C1CN2CC(c3ccccc3)c3ccccc3C2CN1
Show InChI InChI=1S/C18H20N2/c1-2-6-14(7-3-1)17-13-20-11-10-19-12-18(20)16-9-5-4-8-15(16)17/h1-9,17-19H,10-13H2
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n/an/a 860n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028293
PNG
(CHEMBL6459 | cis-7-(4-Chloro-phenyl)-2-methyl-1,3,...)
Show SMILES CN1CCN2CC(c3ccc(Cl)cc3)c3ccccc3C2C1
Show InChI InChI=1S/C19H21ClN2/c1-21-10-11-22-12-18(14-6-8-15(20)9-7-14)16-4-2-3-5-17(16)19(22)13-21/h2-9,18-19H,10-13H2,1H3
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n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028292
PNG
(CHEMBL6747 | cis-2-Ethyl-7-phenyl-1,3,4,6,7,11b-he...)
Show SMILES CCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
Show InChI InChI=1S/C20H24N2/c1-2-21-12-13-22-14-19(16-8-4-3-5-9-16)17-10-6-7-11-18(17)20(22)15-21/h3-11,19-20H,2,12-15H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028295
PNG
(CHEMBL540195 | cis-4-(2-Methyl-1,3,4,6,7,11b-hexah...)
Show SMILES CN1CCN2CC(c3ccc(O)cc3)c3ccccc3C2C1
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-12-18(14-6-8-15(22)9-7-14)16-4-2-3-5-17(16)19(21)13-20/h2-9,18-19,22H,10-13H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028291
PNG
(CHEMBL6649 | cis-Methyl-(4-phenyl-1,2,3,4-tetrahyd...)
Show SMILES CNCC1NCC(c2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H20N2/c1-18-12-17-15-10-6-5-9-14(15)16(11-19-17)13-7-3-2-4-8-13/h2-10,16-19H,11-12H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028291
PNG
(CHEMBL6649 | cis-Methyl-(4-phenyl-1,2,3,4-tetrahyd...)
Show SMILES CNCC1NCC(c2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H20N2/c1-18-12-17-15-10-6-5-9-14(15)16(11-19-17)13-7-3-2-4-8-13/h2-10,16-19H,11-12H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028304
PNG
(CHEMBL266801 | cis-2-Methyl-7-(4-nitro-phenyl)-1,3...)
Show SMILES CN1CCN2CC(c3ccc(cc3)[N+]([O-])=O)c3ccccc3C2C1
Show InChI InChI=1S/C19H21N3O2/c1-20-10-11-21-12-18(14-6-8-15(9-7-14)22(23)24)16-4-2-3-5-17(16)19(21)13-20/h2-9,18-19H,10-13H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028297
PNG
(CHEMBL6455 | cis-4-(2-Methyl-1,3,4,6,7,11b-hexahyd...)
Show SMILES CN1CCN2CC(c3ccc(N)cc3)c3ccccc3C2C1
Show InChI InChI=1S/C19H23N3/c1-21-10-11-22-12-18(14-6-8-15(20)9-7-14)16-4-2-3-5-17(16)19(22)13-21/h2-9,18-19H,10-13,20H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028306
PNG
(CHEMBL414182 | cis-Dimethyl-(4-phenyl-1,2,3,4-tetr...)
Show SMILES CN(C)CC1NCC(c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H22N2/c1-20(2)13-18-16-11-7-6-10-15(16)17(12-19-18)14-8-4-3-5-9-14/h3-11,17-19H,12-13H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028300
PNG
(CHEMBL6446 | cis-7-(4-Methoxy-phenyl)-2-methyl-1,3...)
Show SMILES COc1ccc(cc1)C1CN2CCN(C)CC2c2ccccc12
Show InChI InChI=1S/C20H24N2O/c1-21-11-12-22-13-19(15-7-9-16(23-2)10-8-15)17-5-3-4-6-18(17)20(22)14-21/h3-10,19-20H,11-14H2,1-2H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028305
PNG
(CHEMBL404992 | cis-7-Phenyl-2-propyl-1,3,4,6,7,11b...)
Show SMILES CCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
Show InChI InChI=1S/C21H26N2/c1-2-12-22-13-14-23-15-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)21(23)16-22/h3-11,20-21H,2,12-16H2,1H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028303
PNG
(CHEMBL6603 | cis-Ethyl-(4-phenyl-1,2,3,4-tetrahydr...)
Show SMILES CCNCC1NCC(c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H22N2/c1-2-19-13-18-16-11-7-6-10-15(16)17(12-20-18)14-8-4-3-5-9-14/h3-11,17-20H,2,12-13H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028290
PNG
((+)-cis-2-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-...)
Show SMILES CN1CCN2CC(c3ccccc3)c3ccccc3C2C1
Show InChI InChI=1S/C19H22N2/c1-20-11-12-21-13-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19(21)14-20/h2-10,18-19H,11-14H2,1H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]quinuclidinyl benzilate (0.8 nM) in vitro to membran...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028299
PNG
(CHEMBL6482 | cis-2-Butyl-7-phenyl-1,3,4,6,7,11b-he...)
Show SMILES CCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
Show InChI InChI=1S/C22H28N2/c1-2-3-13-23-14-15-24-16-21(18-9-5-4-6-10-18)19-11-7-8-12-20(19)22(24)17-23/h4-12,21-22H,2-3,13-17H2,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028296
PNG
(CHEMBL6638 | cis-2-Hexyl-7-phenyl-1,3,4,6,7,11b-he...)
Show SMILES CCCCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
Show InChI InChI=1S/C24H32N2/c1-2-3-4-10-15-25-16-17-26-18-23(20-11-6-5-7-12-20)21-13-8-9-14-22(21)24(26)19-25/h5-9,11-14,23-24H,2-4,10,15-19H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028307
PNG
(CHEMBL6575 | cis-2-Methyl-10-nitro-7-(4-nitro-phen...)
Show SMILES CN1CCN2CC(c3ccc(cc3)[N+]([O-])=O)c3ccc(cc3C2C1)[N+]([O-])=O
Show InChI InChI=1S/C19H20N4O4/c1-20-8-9-21-11-18(13-2-4-14(5-3-13)22(24)25)16-7-6-15(23(26)27)10-17(16)19(21)12-20/h2-7,10,18-19H,8-9,11-12H2,1H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028302
PNG
(CHEMBL266039 | cis-2-Phenethyl-7-phenyl-1,3,4,6,7,...)
Show SMILES C(Cc1ccccc1)N1CCN2CC(c3ccccc3)c3ccccc3C2C1
Show InChI InChI=1S/C26H28N2/c1-3-9-21(10-4-1)15-16-27-17-18-28-19-25(22-11-5-2-6-12-22)23-13-7-8-14-24(23)26(28)20-27/h1-14,25-26H,15-20H2
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UniChem

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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50028298
PNG
(CHEMBL6574 | cis-2-Benzyl-7-phenyl-1,3,4,6,7,11b-h...)
Show SMILES C(N1CCN2CC(c3ccccc3)c3ccccc3C2C1)c1ccccc1
Show InChI InChI=1S/C25H26N2/c1-3-9-20(10-4-1)17-26-15-16-27-18-24(21-11-5-2-6-12-21)22-13-7-8-14-23(22)25(27)19-26/h1-14,24-25H,15-19H2
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]-quinuclidinyl benzilate (0.8 nM) in vitro to membra...


J Med Chem 27: 995-1003 (1984)


BindingDB Entry DOI: 10.7270/Q2D799FQ
More data for this
Ligand-Target Pair