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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50035752   
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 receptor M1


(Bos taurus)
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/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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0.190n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.200n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50296314
PNG
((3R)-1-Azabicyclo[2.2.2]oct-3-yl9H-xanthene-9-carb...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wD:3.2,(-1.78,.66,;-3.13,-.09,;-3.15,-1.63,;-1.81,-2.4,;-1.81,-3.94,;-.48,-4.7,;.85,-3.94,;.85,-2.4,;-.48,-1.62,;-.06,-2.86,;-1.11,-3.21,;-4.45,.7,;-5.79,-.04,;-5.82,-1.58,;-7.17,-2.33,;-8.5,-1.53,;-8.47,.02,;-7.11,.76,;-7.09,2.3,;-5.74,3.04,;-5.72,4.57,;-4.38,5.32,;-3.05,4.53,;-3.07,2.99,;-4.42,2.25,)|
Show InChI InChI=1S/C21H21NO3/c23-21(25-19-13-22-11-9-14(19)10-12-22)20-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20/h1-8,14,19-20H,9-13H2/t19-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/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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0.230n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50405720
PNG
(CHEMBL2115342)
Show SMILES C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:1.2,wD:6.5,1.1,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50296314
PNG
((3R)-1-Azabicyclo[2.2.2]oct-3-yl9H-xanthene-9-carb...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wD:3.2,(-1.78,.66,;-3.13,-.09,;-3.15,-1.63,;-1.81,-2.4,;-1.81,-3.94,;-.48,-4.7,;.85,-3.94,;.85,-2.4,;-.48,-1.62,;-.06,-2.86,;-1.11,-3.21,;-4.45,.7,;-5.79,-.04,;-5.82,-1.58,;-7.17,-2.33,;-8.5,-1.53,;-8.47,.02,;-7.11,.76,;-7.09,2.3,;-5.74,3.04,;-5.72,4.57,;-4.38,5.32,;-3.05,4.53,;-3.07,2.99,;-4.42,2.25,)|
Show InChI InChI=1S/C21H21NO3/c23-21(25-19-13-22-11-9-14(19)10-12-22)20-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20/h1-8,14,19-20H,9-13H2/t19-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.5n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the phosphatidyl inositol turnover at Muscarinic acetylcholine receptor M1 in rat cortex


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50367742
PNG
(CHEMBL1788199)
Show SMILES OC(C(=O)O[C@@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/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/t19-/m1/s1
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0.570n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.700n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/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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2.20n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50405717
PNG
(CHEMBL2115341)
Show SMILES C[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:1.1,wD:1.2,6.5,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Pseudo hill coefficient at Muscarinic acetylcholine receptor M1


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
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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3.60n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50367741
PNG
(CHEMBL1788286)
Show SMILES O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:3.2,TLB:2:3:7.6:9.10,(5.68,-6.55,;5.7,-5.33,;7.04,-4.57,;8.59,-4.57,;8.54,-5.86,;9.9,-4.81,;8.96,-3.17,;10.01,-2.65,;9.93,-3.78,;11.26,-4.56,;11.3,-5.75,;4.37,-4.56,;3.61,-5.89,;4.37,-7.23,;3.62,-8.56,;2.07,-8.57,;1.3,-7.23,;2.07,-5.91,;1.27,-4.57,;2.05,-3.22,;1.27,-1.9,;2.02,-.55,;3.57,-.55,;4.35,-1.88,;3.6,-3.22,)|
Show InChI InChI=1S/C21H21NO3/c23-21(25-19-13-22-11-9-14(19)10-12-22)20-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20/h1-8,14,19-20H,9-13H2/t19-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50367742
PNG
(CHEMBL1788199)
Show SMILES OC(C(=O)O[C@@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/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/t19-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50296314
PNG
((3R)-1-Azabicyclo[2.2.2]oct-3-yl9H-xanthene-9-carb...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wD:3.2,(-1.78,.66,;-3.13,-.09,;-3.15,-1.63,;-1.81,-2.4,;-1.81,-3.94,;-.48,-4.7,;.85,-3.94,;.85,-2.4,;-.48,-1.62,;-.06,-2.86,;-1.11,-3.21,;-4.45,.7,;-5.79,-.04,;-5.82,-1.58,;-7.17,-2.33,;-8.5,-1.53,;-8.47,.02,;-7.11,.76,;-7.09,2.3,;-5.74,3.04,;-5.72,4.57,;-4.38,5.32,;-3.05,4.53,;-3.07,2.99,;-4.42,2.25,)|
Show InChI InChI=1S/C21H21NO3/c23-21(25-19-13-22-11-9-14(19)10-12-22)20-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20/h1-8,14,19-20H,9-13H2/t19-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50405720
PNG
(CHEMBL2115342)
Show SMILES C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:1.2,wD:6.5,1.1,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16+/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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7.5n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50405718
PNG
(CHEMBL2114396)
Show SMILES C[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 |wU:1.2,6.5,wD:1.1,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16-/m1/s1
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19n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50367741
PNG
(CHEMBL1788286)
Show SMILES O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:3.2,TLB:2:3:7.6:9.10,(5.68,-6.55,;5.7,-5.33,;7.04,-4.57,;8.59,-4.57,;8.54,-5.86,;9.9,-4.81,;8.96,-3.17,;10.01,-2.65,;9.93,-3.78,;11.26,-4.56,;11.3,-5.75,;4.37,-4.56,;3.61,-5.89,;4.37,-7.23,;3.62,-8.56,;2.07,-8.57,;1.3,-7.23,;2.07,-5.91,;1.27,-4.57,;2.05,-3.22,;1.27,-1.9,;2.02,-.55,;3.57,-.55,;4.35,-1.88,;3.6,-3.22,)|
Show InChI InChI=1S/C21H21NO3/c23-21(25-19-13-22-11-9-14(19)10-12-22)20-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20/h1-8,14,19-20H,9-13H2/t19-/m1/s1
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27n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the phosphatidyl inositol turnover at Muscarinic acetylcholine receptor M1 in rat cortex


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50405717
PNG
(CHEMBL2115341)
Show SMILES C[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:1.1,wD:1.2,6.5,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16-/m0/s1
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37n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50367741
PNG
(CHEMBL1788286)
Show SMILES O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:3.2,TLB:2:3:7.6:9.10,(5.68,-6.55,;5.7,-5.33,;7.04,-4.57,;8.59,-4.57,;8.54,-5.86,;9.9,-4.81,;8.96,-3.17,;10.01,-2.65,;9.93,-3.78,;11.26,-4.56,;11.3,-5.75,;4.37,-4.56,;3.61,-5.89,;4.37,-7.23,;3.62,-8.56,;2.07,-8.57,;1.3,-7.23,;2.07,-5.91,;1.27,-4.57,;2.05,-3.22,;1.27,-1.9,;2.02,-.55,;3.57,-.55,;4.35,-1.88,;3.6,-3.22,)|
Show InChI InChI=1S/C21H21NO3/c23-21(25-19-13-22-11-9-14(19)10-12-22)20-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20/h1-8,14,19-20H,9-13H2/t19-/m1/s1
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74n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50367742
PNG
(CHEMBL1788199)
Show SMILES OC(C(=O)O[C@@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/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/t19-/m1/s1
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123n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50405720
PNG
(CHEMBL2115342)
Show SMILES C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:1.2,wD:6.5,1.1,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16+/m0/s1
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153n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50405719
PNG
(CHEMBL2114395)
Show SMILES C[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 |wU:6.5,1.1,wD:1.2,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16+/m1/s1
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156n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
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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377n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50405718
PNG
(CHEMBL2114396)
Show SMILES C[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 |wU:1.2,6.5,wD:1.1,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16-/m1/s1
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934n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50405719
PNG
(CHEMBL2114395)
Show SMILES C[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 |wU:6.5,1.1,wD:1.2,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16+/m1/s1
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1.37E+3n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50405717
PNG
(CHEMBL2115341)
Show SMILES C[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:1.1,wD:1.2,6.5,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16-/m0/s1
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1.46E+3n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50367741
PNG
(CHEMBL1788286)
Show SMILES O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:3.2,TLB:2:3:7.6:9.10,(5.68,-6.55,;5.7,-5.33,;7.04,-4.57,;8.59,-4.57,;8.54,-5.86,;9.9,-4.81,;8.96,-3.17,;10.01,-2.65,;9.93,-3.78,;11.26,-4.56,;11.3,-5.75,;4.37,-4.56,;3.61,-5.89,;4.37,-7.23,;3.62,-8.56,;2.07,-8.57,;1.3,-7.23,;2.07,-5.91,;1.27,-4.57,;2.05,-3.22,;1.27,-1.9,;2.02,-.55,;3.57,-.55,;4.35,-1.88,;3.6,-3.22,)|
Show InChI InChI=1S/C21H21NO3/c23-21(25-19-13-22-11-9-14(19)10-12-22)20-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20/h1-8,14,19-20H,9-13H2/t19-/m1/s1
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1.66E+3n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50405719
PNG
(CHEMBL2114395)
Show SMILES C[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 |wU:6.5,1.1,wD:1.2,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16+/m1/s1
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1.37E+4n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
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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1.83E+4n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50405718
PNG
(CHEMBL2114396)
Show SMILES C[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 |wU:1.2,6.5,wD:1.1,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16-/m1/s1
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2.67E+4n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair