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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50048866   
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 M1/M2/M3/M4/M5


(RAT)
BDBM50229528
PNG
(CHEMBL93406)
Show SMILES [H][C@]12CC[N@](C[C@H]1c1nc(C)no1)C2
Show InChI InChI=1S/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7-,8-/m1/s1
PDB
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n/an/a 2.80n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
PDB
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n/an/a 12n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229526
PNG
(CHEMBL279356)
Show SMILES Cc1noc(n1)C1CN2CCC1CC2 |(5.41,-5.22,;4.1,-6,;4.34,-7.52,;2.94,-8.22,;1.87,-7.15,;2.56,-5.75,;.54,-7.93,;.54,-9.47,;-.8,-10.25,;-2.11,-9.47,;-2.11,-7.93,;-.8,-7.16,;-1.21,-8.65,;-.19,-8.97,)|
Show InChI InChI=1S/C10H15N3O/c1-7-11-10(14-12-7)9-6-13-4-2-8(9)3-5-13/h8-9H,2-6H2,1H3
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n/an/a 14n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229524
PNG
(CHEMBL329351)
Show SMILES Cc1noc(n1)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-8-11-9(14-12-8)10-3-2-5-13(7-10)6-4-10/h2-7H2,1H3
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n/an/a 15n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central Muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229530
PNG
(CHEMBL329434)
Show SMILES COC(=O)C12CCN(C1)CCC2
Show InChI InChI=1S/C9H15NO2/c1-12-8(11)9-3-2-5-10(7-9)6-4-9/h2-7H2,1H3
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n/an/a 19n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229520
PNG
(CHEMBL93430)
Show SMILES [H][C@]12CC[N@@](C1)C[C@@H](C2)c1nc(C)no1
Show InChI InChI=1S/C10H15N3O/c1-7-11-10(14-12-7)9-4-8-2-3-13(5-8)6-9/h8-9H,2-6H2,1H3/t8-,9-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229527
PNG
(CHEMBL94072)
Show SMILES Cc1nnc(o1)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-8-11-12-9(14-8)10-3-2-5-13(7-10)6-4-10/h2-7H2,1H3
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n/an/a 42n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229535
PNG
(CHEMBL91390)
Show SMILES [H][C@@]12C[N@@](C[C@H]1c1nc(C)no1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-7-11-10(14-12-7)9-6-13-4-2-3-8(9)5-13/h8-9H,2-6H2,1H3/t8-,9-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229533
PNG
(CHEMBL330709)
Show SMILES COC(=O)C12CCN(CC1)C2
Show InChI InChI=1S/C8H13NO2/c1-11-7(10)8-2-4-9(6-8)5-3-8/h2-6H2,1H3
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n/an/a 48n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229536
PNG
(CHEMBL329321)
Show SMILES [H][C@]12CC[N@@](C1)C[C@@H](C2)C(=O)OC
Show InChI InChI=1S/C9H15NO2/c1-12-9(11)8-4-7-2-3-10(5-7)6-8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229539
PNG
(CHEMBL93126)
Show SMILES [H][C@]12CC[N@](C[C@H]1c1noc(C)n1)C2
Show InChI InChI=1S/C9H13N3O/c1-6-10-9(11-13-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7-,8-/m1/s1
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n/an/a 92n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229531
PNG
(CHEMBL328152)
Show SMILES [H][C@]12CC[N@](C[C@H]1c1nnc(C)o1)C2
Show InChI InChI=1S/C9H13N3O/c1-6-10-11-9(13-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7-,8-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229538
PNG
(CHEMBL91907)
Show SMILES Cc1noc(n1)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-7-10-8(13-11-7)9-2-4-12(6-9)5-3-9/h2-6H2,1H3
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n/an/a 130n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229522
PNG
(CHEMBL329316)
Show SMILES [H][C@@]12CCC[N@](C[C@@H](C1)C(=O)OC)C2
Show InChI InChI=1S/C10H17NO2/c1-13-10(12)9-5-8-3-2-4-11(6-8)7-9/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
PDB
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n/an/a 130n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229525
PNG
(CHEMBL94065)
Show SMILES Cc1nnc(o1)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-7-10-11-8(13-7)9-2-4-12(6-9)5-3-9/h2-6H2,1H3
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n/an/a 180n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229532
PNG
(CHEMBL445119)
Show SMILES [H][C@]12CC[N@](C[C@H]1C(=O)OC)C2
Show InChI InChI=1S/C8H13NO2/c1-11-8(10)7-5-9-3-2-6(7)4-9/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229521
PNG
(CHEMBL91850)
Show SMILES [H][C@@]12CCC[N@](C[C@@H](C1)c1nc(C)no1)C2
Show InChI InChI=1S/C11H17N3O/c1-8-12-11(15-13-8)10-5-9-3-2-4-14(6-9)7-10/h9-10H,2-7H2,1H3/t9-,10-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 250...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229537
PNG
(CHEMBL328497)
Show SMILES Cc1nc(no1)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-8-11-9(12-14-8)10-3-2-5-13(7-10)6-4-10/h2-7H2,1H3
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n/an/a 260n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212556
PNG
(CHEMBL14648)
Show SMILES COC(=O)C1CN2CCC1CC2 |(14.24,-8.88,;14.24,-7.38,;13.17,-6.31,;13.15,-4.81,;11.84,-7.09,;11.84,-8.63,;10.5,-9.41,;11.11,-8.13,;10.09,-7.8,;10.5,-6.32,;9.19,-7.09,;9.19,-8.63,)|
Show InChI InChI=1S/C9H15NO2/c1-12-9(11)8-6-10-4-2-7(8)3-5-10/h7-8H,2-6H2,1H3
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n/an/a 520n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229529
PNG
(CHEMBL14879)
Show SMILES Cc1nnc(o1)C1CN2CCC1CC2 |(2.84,.55,;1.53,-.23,;1.75,-1.75,;.38,-2.46,;-.71,-1.38,;-.02,,;-2.02,-2.16,;-2.02,-3.71,;-3.36,-4.46,;-4.67,-3.71,;-4.67,-2.16,;-3.36,-1.38,;-3.77,-2.88,;-2.76,-3.21,)|
Show InChI InChI=1S/C10H15N3O/c1-7-11-12-10(14-7)9-6-13-4-2-8(9)3-5-13/h8-9H,2-6H2,1H3
PDB
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n/an/a 980n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229528
PNG
(CHEMBL93406)
Show SMILES [H][C@]12CC[N@](C[C@H]1c1nc(C)no1)C2
Show InChI InChI=1S/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7-,8-/m1/s1
PDB
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n/an/a 1.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229534
PNG
(CHEMBL14808)
Show SMILES Cc1nc(no1)C1CN2CCC1CC2 |(2.84,.55,;1.53,-.23,;-.02,,;-.71,-1.38,;.38,-2.46,;1.75,-1.75,;-2.02,-2.16,;-2.02,-3.71,;-3.36,-4.46,;-4.67,-3.71,;-4.67,-2.16,;-3.36,-1.38,;-3.77,-2.88,;-2.76,-3.21,)|
Show InChI InChI=1S/C10H15N3O/c1-7-11-10(12-14-7)9-6-13-4-2-8(9)3-5-13/h8-9H,2-6H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229523
PNG
(CHEMBL328267)
Show SMILES [H][C@@]12C[N@@](C[C@H]1C(=O)OC)CCC2
Show InChI InChI=1S/C9H15NO2/c1-12-9(11)8-6-10-4-2-3-7(8)5-10/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Valu...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229521
PNG
(CHEMBL91850)
Show SMILES [H][C@@]12CCC[N@](C[C@@H](C1)c1nc(C)no1)C2
Show InChI InChI=1S/C11H17N3O/c1-8-12-11(15-13-8)10-5-9-3-2-4-14(6-9)7-10/h9-10H,2-7H2,1H3/t9-,10-/m1/s1
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n/an/a 1.73E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229526
PNG
(CHEMBL279356)
Show SMILES Cc1noc(n1)C1CN2CCC1CC2 |(5.41,-5.22,;4.1,-6,;4.34,-7.52,;2.94,-8.22,;1.87,-7.15,;2.56,-5.75,;.54,-7.93,;.54,-9.47,;-.8,-10.25,;-2.11,-9.47,;-2.11,-7.93,;-.8,-7.16,;-1.21,-8.65,;-.19,-8.97,)|
Show InChI InChI=1S/C10H15N3O/c1-7-11-10(14-12-7)9-6-13-4-2-8(9)3-5-13/h8-9H,2-6H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229520
PNG
(CHEMBL93430)
Show SMILES [H][C@]12CC[N@@](C1)C[C@@H](C2)c1nc(C)no1
Show InChI InChI=1S/C10H15N3O/c1-7-11-10(14-12-7)9-4-8-2-3-13(5-8)6-9/h8-9H,2-6H2,1H3/t8-,9-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229535
PNG
(CHEMBL91390)
Show SMILES [H][C@@]12C[N@@](C[C@H]1c1nc(C)no1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-7-11-10(14-12-7)9-6-13-4-2-3-8(9)5-13/h8-9H,2-6H2,1H3/t8-,9-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229524
PNG
(CHEMBL329351)
Show SMILES Cc1noc(n1)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-8-11-9(14-12-8)10-3-2-5-13(7-10)6-4-10/h2-7H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central Muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229537
PNG
(CHEMBL328497)
Show SMILES Cc1nc(no1)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-8-11-9(12-14-8)10-3-2-5-13(7-10)6-4-10/h2-7H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229522
PNG
(CHEMBL329316)
Show SMILES [H][C@@]12CCC[N@](C[C@@H](C1)C(=O)OC)C2
Show InChI InChI=1S/C10H17NO2/c1-13-10(12)9-5-8-3-2-4-11(6-8)7-9/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229530
PNG
(CHEMBL329434)
Show SMILES COC(=O)C12CCN(C1)CCC2
Show InChI InChI=1S/C9H15NO2/c1-12-8(11)9-3-2-5-10(7-9)6-4-9/h2-7H2,1H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229527
PNG
(CHEMBL94072)
Show SMILES Cc1nnc(o1)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-8-11-12-9(14-8)10-3-2-5-13(7-10)6-4-10/h2-7H2,1H3
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n/an/a 9.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229536
PNG
(CHEMBL329321)
Show SMILES [H][C@]12CC[N@@](C1)C[C@@H](C2)C(=O)OC
Show InChI InChI=1S/C9H15NO2/c1-12-9(11)8-4-7-2-3-10(5-7)6-8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229534
PNG
(CHEMBL14808)
Show SMILES Cc1nc(no1)C1CN2CCC1CC2 |(2.84,.55,;1.53,-.23,;-.02,,;-.71,-1.38,;.38,-2.46,;1.75,-1.75,;-2.02,-2.16,;-2.02,-3.71,;-3.36,-4.46,;-4.67,-3.71,;-4.67,-2.16,;-3.36,-1.38,;-3.77,-2.88,;-2.76,-3.21,)|
Show InChI InChI=1S/C10H15N3O/c1-7-11-10(12-14-7)9-6-13-4-2-8(9)3-5-13/h8-9H,2-6H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229529
PNG
(CHEMBL14879)
Show SMILES Cc1nnc(o1)C1CN2CCC1CC2 |(2.84,.55,;1.53,-.23,;1.75,-1.75,;.38,-2.46,;-.71,-1.38,;-.02,,;-2.02,-2.16,;-2.02,-3.71,;-3.36,-4.46,;-4.67,-3.71,;-4.67,-2.16,;-3.36,-1.38,;-3.77,-2.88,;-2.76,-3.21,)|
Show InChI InChI=1S/C10H15N3O/c1-7-11-12-10(14-7)9-6-13-4-2-8(9)3-5-13/h8-9H,2-6H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229538
PNG
(CHEMBL91907)
Show SMILES Cc1noc(n1)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-7-10-8(13-11-7)9-2-4-12(6-9)5-3-9/h2-6H2,1H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/a 2.40E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212556
PNG
(CHEMBL14648)
Show SMILES COC(=O)C1CN2CCC1CC2 |(14.24,-8.88,;14.24,-7.38,;13.17,-6.31,;13.15,-4.81,;11.84,-7.09,;11.84,-8.63,;10.5,-9.41,;11.11,-8.13,;10.09,-7.8,;10.5,-6.32,;9.19,-7.09,;9.19,-8.63,)|
Show InChI InChI=1S/C9H15NO2/c1-12-9(11)8-6-10-4-2-7(8)3-5-10/h7-8H,2-6H2,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229539
PNG
(CHEMBL93126)
Show SMILES [H][C@]12CC[N@](C[C@H]1c1noc(C)n1)C2
Show InChI InChI=1S/C9H13N3O/c1-6-10-9(11-13-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7-,8-/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229531
PNG
(CHEMBL328152)
Show SMILES [H][C@]12CC[N@](C[C@H]1c1nnc(C)o1)C2
Show InChI InChI=1S/C9H13N3O/c1-6-10-11-9(13-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7-,8-/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229533
PNG
(CHEMBL330709)
Show SMILES COC(=O)C12CCN(CC1)C2
Show InChI InChI=1S/C8H13NO2/c1-11-7(10)8-2-4-9(6-8)5-3-8/h2-6H2,1H3
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n/an/a 3.10E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229532
PNG
(CHEMBL445119)
Show SMILES [H][C@]12CC[N@](C[C@H]1C(=O)OC)C2
Show InChI InChI=1S/C8H13NO2/c1-11-8(10)7-5-9-3-2-6(7)4-9/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
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PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229523
PNG
(CHEMBL328267)
Show SMILES [H][C@@]12C[N@@](C[C@H]1C(=O)OC)CCC2
Show InChI InChI=1S/C9H15NO2/c1-12-9(11)8-6-10-4-2-3-7(8)5-10/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
PDB
MMDB

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PC cid
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PubMed
n/an/a 6.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50229525
PNG
(CHEMBL94065)
Show SMILES Cc1nnc(o1)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-7-10-11-8(13-7)9-2-4-12(6-9)5-3-9/h2-6H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cor...


J Med Chem 34: 2726-35 (1991)


BindingDB Entry DOI: 10.7270/Q2BG2R7J
More data for this
Ligand-Target Pair