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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50048315   
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)
BDBM50212568
PNG
(CHEMBL341379)
Show SMILES [H][C@@]12CC[N@@](C[C@@H]1\C(F)=N\OC)C2
Show InChI InChI=1S/C8H13FN2O/c1-12-10-8(9)7-5-11-3-2-6(7)4-11/h6-7H,2-5H2,1H3/b10-8-/t6-,7-/m0/s1
PDB
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50061707
PNG
((1-Aza-bicyclo[3.2.1]oct-5-yl)-[(Z)-methoxyimino]-...)
Show SMILES CO\N=C(/C#N)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-9(7-11)10-3-2-5-13(8-10)6-4-10/h2-6,8H2,1H3/b12-9+
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50061706
PNG
((1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]...)
Show SMILES CO\N=C(/C#N)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-8(6-10)9-2-4-12(7-9)5-3-9/h2-5,7H2,1H3/b11-8+
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212563
PNG
(CHEMBL350757)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-9(4-10)8-6-12-3-2-7(8)5-12/h7-8H,2-3,5-6H2,1H3/b11-9+/t7?,8-/m0/s1
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212570
PNG
(BRL-55473 | CHEMBL336590)
Show SMILES CO\N=C(/C#N)C1CN2CCC1CC2 |(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212572
PNG
(CHEMBL341766)
Show SMILES CO\N=C(/F)C1CN2CCC1CC2 |(8.98,-3.49,;9,-5.03,;7.66,-5.81,;7.66,-7.37,;8.93,-8.11,;6.32,-8.13,;6.32,-9.67,;4.98,-10.43,;3.66,-9.67,;3.66,-8.13,;4.98,-7.35,;4.47,-8.67,;5.41,-9.25,)|
Show InChI InChI=1S/C9H15FN2O/c1-13-11-9(10)8-6-12-4-2-7(8)3-5-12/h7-8H,2-6H2,1H3/b11-9-
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212569
PNG
(CHEMBL167982)
Show SMILES CO\N=C(/F)C12CCN(C1)CCC2
Show InChI InChI=1S/C9H15FN2O/c1-13-11-8(10)9-3-2-5-12(7-9)6-4-9/h2-7H2,1H3/b11-8-
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n/an/a 43n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212566
PNG
(CHEMBL135836)
Show SMILES CO\N=C(/F)C12CCN(CC1)C2
Show InChI InChI=1S/C8H13FN2O/c1-12-10-7(9)8-2-4-11(6-8)5-3-8/h2-6H2,1H3/b10-7-
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n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212574
PNG
(CHEMBL336727)
Show SMILES CO\N=C(/Cl)C12CCN(CC1)C2
Show InChI InChI=1S/C8H13ClN2O/c1-12-10-7(9)8-2-4-11(6-8)5-3-8/h2-6H2,1H3/b10-7-
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n/an/a 51n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212564
PNG
(CHEMBL137385)
Show SMILES [H][C@@]12CC[N@@](C[C@@H]1\C(Br)=N\OC)C2
Show InChI InChI=1S/C8H13BrN2O/c1-12-10-8(9)7-5-11-3-2-6(7)4-11/h6-7H,2-5H2,1H3/b10-8-/t6-,7-/m0/s1
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n/an/a 59n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212567
PNG
(CHEMBL135260)
Show SMILES [H][C@@]12CC[N@@](C[C@@H]1\C(Cl)=N\OC)C2
Show InChI InChI=1S/C8H13ClN2O/c1-12-10-8(9)7-5-11-3-2-6(7)4-11/h6-7H,2-5H2,1H3/b10-8-/t6-,7-/m0/s1
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n/an/a 64n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212573
PNG
(CHEMBL135604)
Show SMILES CO\N=C(/Cl)C1CN2CCC1CC2 |(8.98,-3.49,;9,-5.03,;7.66,-5.81,;7.66,-7.37,;8.93,-8.11,;6.32,-8.13,;6.32,-9.67,;4.98,-10.43,;3.66,-9.67,;3.66,-8.13,;4.98,-7.35,;4.47,-8.67,;5.41,-9.25,)|
Show InChI InChI=1S/C9H15ClN2O/c1-13-11-9(10)8-6-12-4-2-7(8)3-5-12/h7-8H,2-6H2,1H3/b11-9-
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n/an/a 69n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212565
PNG
(CHEMBL336162)
Show SMILES CO\N=C(/Cl)C12CCN(C1)CCC2
Show InChI InChI=1S/C9H15ClN2O/c1-13-11-8(10)9-3-2-5-12(7-9)6-4-9/h2-7H2,1H3/b11-8-
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n/an/a 72n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212571
PNG
(CHEMBL334674)
Show SMILES CO\N=C(/Br)C12CCN(CC1)C2
Show InChI InChI=1S/C8H13BrN2O/c1-12-10-7(9)8-2-4-11(6-8)5-3-8/h2-6H2,1H3/b10-7-
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n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212562
PNG
(CHEMBL335324)
Show SMILES CO\N=C(/Br)C12CCN(C1)CCC2
Show InChI InChI=1S/C9H15BrN2O/c1-13-11-8(10)9-3-2-5-12(7-9)6-4-9/h2-7H2,1H3/b11-8-
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n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50061707
PNG
((1-Aza-bicyclo[3.2.1]oct-5-yl)-[(Z)-methoxyimino]-...)
Show SMILES CO\N=C(/C#N)C12CCN(C1)CCC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-9(7-11)10-3-2-5-13(8-10)6-4-10/h2-6,8H2,1H3/b12-9+
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n/an/a 220n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212570
PNG
(BRL-55473 | CHEMBL336590)
Show SMILES CO\N=C(/C#N)C1CN2CCC1CC2 |(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+
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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212573
PNG
(CHEMBL135604)
Show SMILES CO\N=C(/Cl)C1CN2CCC1CC2 |(8.98,-3.49,;9,-5.03,;7.66,-5.81,;7.66,-7.37,;8.93,-8.11,;6.32,-8.13,;6.32,-9.67,;4.98,-10.43,;3.66,-9.67,;3.66,-8.13,;4.98,-7.35,;4.47,-8.67,;5.41,-9.25,)|
Show InChI InChI=1S/C9H15ClN2O/c1-13-11-9(10)8-6-12-4-2-7(8)3-5-12/h7-8H,2-6H2,1H3/b11-9-
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50061706
PNG
((1-Aza-bicyclo[2.2.1]hept-4-yl)-[(Z)-methoxyimino]...)
Show SMILES CO\N=C(/C#N)C12CCN(CC1)C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-8(6-10)9-2-4-12(7-9)5-3-9/h2-5,7H2,1H3/b11-8+
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n/an/a 1.95E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212572
PNG
(CHEMBL341766)
Show SMILES CO\N=C(/F)C1CN2CCC1CC2 |(8.98,-3.49,;9,-5.03,;7.66,-5.81,;7.66,-7.37,;8.93,-8.11,;6.32,-8.13,;6.32,-9.67,;4.98,-10.43,;3.66,-9.67,;3.66,-8.13,;4.98,-7.35,;4.47,-8.67,;5.41,-9.25,)|
Show InChI InChI=1S/C9H15FN2O/c1-13-11-9(10)8-6-12-4-2-7(8)3-5-12/h7-8H,2-6H2,1H3/b11-9-
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212562
PNG
(CHEMBL335324)
Show SMILES CO\N=C(/Br)C12CCN(C1)CCC2
Show InChI InChI=1S/C9H15BrN2O/c1-13-11-8(10)9-3-2-5-12(7-9)6-4-9/h2-7H2,1H3/b11-8-
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212563
PNG
(CHEMBL350757)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1C2
Show InChI InChI=1S/C9H13N3O/c1-13-11-9(4-10)8-6-12-3-2-7(8)5-12/h7-8H,2-3,5-6H2,1H3/b11-9+/t7?,8-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212569
PNG
(CHEMBL167982)
Show SMILES CO\N=C(/F)C12CCN(C1)CCC2
Show InChI InChI=1S/C9H15FN2O/c1-13-11-8(10)9-3-2-5-12(7-9)6-4-9/h2-7H2,1H3/b11-8-
PDB
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212564
PNG
(CHEMBL137385)
Show SMILES [H][C@@]12CC[N@@](C[C@@H]1\C(Br)=N\OC)C2
Show InChI InChI=1S/C8H13BrN2O/c1-12-10-8(9)7-5-11-3-2-6(7)4-11/h6-7H,2-5H2,1H3/b10-8-/t6-,7-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212567
PNG
(CHEMBL135260)
Show SMILES [H][C@@]12CC[N@@](C[C@@H]1\C(Cl)=N\OC)C2
Show InChI InChI=1S/C8H13ClN2O/c1-12-10-8(9)7-5-11-3-2-6(7)4-11/h6-7H,2-5H2,1H3/b10-8-/t6-,7-/m0/s1
PDB
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212565
PNG
(CHEMBL336162)
Show SMILES CO\N=C(/Cl)C12CCN(C1)CCC2
Show InChI InChI=1S/C9H15ClN2O/c1-13-11-8(10)9-3-2-5-12(7-9)6-4-9/h2-7H2,1H3/b11-8-
PDB
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212568
PNG
(CHEMBL341379)
Show SMILES [H][C@@]12CC[N@@](C[C@@H]1\C(F)=N\OC)C2
Show InChI InChI=1S/C8H13FN2O/c1-12-10-8(9)7-5-11-3-2-6(7)4-11/h6-7H,2-5H2,1H3/b10-8-/t6-,7-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212571
PNG
(CHEMBL334674)
Show SMILES CO\N=C(/Br)C12CCN(CC1)C2
Show InChI InChI=1S/C8H13BrN2O/c1-12-10-7(9)8-2-4-11(6-8)5-3-8/h2-6H2,1H3/b10-7-
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n/an/a 8.10E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212574
PNG
(CHEMBL336727)
Show SMILES CO\N=C(/Cl)C12CCN(CC1)C2
Show InChI InChI=1S/C8H13ClN2O/c1-12-10-7(9)8-2-4-11(6-8)5-3-8/h2-6H2,1H3/b10-7-
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n/an/a 8.50E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212566
PNG
(CHEMBL135836)
Show SMILES CO\N=C(/F)C12CCN(CC1)C2
Show InChI InChI=1S/C8H13FN2O/c1-12-10-7(9)8-2-4-11(6-8)5-3-8/h2-6H2,1H3/b10-7-
PDB
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n/an/a 1.55E+4n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W37ZG7
More data for this
Ligand-Target Pair