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PubMed code 1956033

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
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


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.0383n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against muscarinic acetylcholine receptor M1, using [3H]QNB as the radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.0986n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against muscarinic acetylcholine receptor M3, using [3H]-QNB as the radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
PDB

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0.177n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Compound was tested for binding activity against rat muscarinic acetylcholine receptor M2 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.220n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.472n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase theta 1


(Rattus norvegicus)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.680n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against muscarinic acetylcholine receptor M3, using [3H]-QNB as the radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-23-15-16-12-19(23)14-20(13-16)25-22(24)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-23-15-16-12-19(23)14-20(13-16)25-22(24)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3
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4.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-23-15-16-12-19(23)14-20(13-16)25-22(24)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3
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4.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-23-15-16-12-19(23)14-20(13-16)25-22(24)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3
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11n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50368151
PNG
(CHEMBL322582)
Show SMILES CC(C(=O)OC1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO2/c1-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)28(31)32-27-18-23-17-26(19-27)30(21-23)20-22-11-5-2-6-12-22/h2-16,23,26-27H,17-21H2,1H3
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11n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50368151
PNG
(CHEMBL322582)
Show SMILES CC(C(=O)OC1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO2/c1-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)28(31)32-27-18-23-17-26(19-27)30(21-23)20-22-11-5-2-6-12-22/h2-16,23,26-27H,17-21H2,1H3
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13n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453022
PNG
(CHEMBL326453)
Show SMILES CC(N1CC2CC1C[C@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12?,14?,16?,17-/m0/s1
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2.77E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50453022
PNG
(CHEMBL326453)
Show SMILES CC(N1CC2CC1C[C@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12?,14?,16?,17-/m0/s1
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3.38E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50453023
PNG
(CHEMBL2113669)
Show SMILES C[C@@H](N1C[C@H]2C[C@@H]1C[C@@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12-,14+,16-,17-/m1/s1
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4.28E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50368148
PNG
(CHEMBL325322)
Show SMILES CN1CC2CC1CC(C2)OC(C)=O
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-4-8-3-9(5-10)11(2)6-8/h8-10H,3-6H2,1-2H3
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4.97E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50368148
PNG
(CHEMBL325322)
Show SMILES CN1CC2CC1CC(C2)OC(C)=O
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-4-8-3-9(5-10)11(2)6-8/h8-10H,3-6H2,1-2H3
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7.11E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50368148
PNG
(CHEMBL325322)
Show SMILES CN1CC2CC1CC(C2)OC(C)=O
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-4-8-3-9(5-10)11(2)6-8/h8-10H,3-6H2,1-2H3
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7.21E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50368148
PNG
(CHEMBL325322)
Show SMILES CN1CC2CC1CC(C2)OC(C)=O
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-4-8-3-9(5-10)11(2)6-8/h8-10H,3-6H2,1-2H3
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8.62E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453023
PNG
(CHEMBL2113669)
Show SMILES C[C@@H](N1C[C@H]2C[C@@H]1C[C@@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12-,14+,16-,17-/m1/s1
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9.18E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50368149
PNG
(CHEMBL1159664)
Show SMILES CC(N1C[C@H]2C[C@@H]1C[C@@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12?,14-,16+,17+/m0/s1
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UniChem

Similars

PubMed
1.28E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50368148
PNG
(CHEMBL325322)
Show SMILES CN1CC2CC1CC(C2)OC(C)=O
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-4-8-3-9(5-10)11(2)6-8/h8-10H,3-6H2,1-2H3
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.41E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50368149
PNG
(CHEMBL1159664)
Show SMILES CC(N1C[C@H]2C[C@@H]1C[C@@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12?,14-,16+,17+/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
1.49E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50368148
PNG
(CHEMBL325322)
Show SMILES CN1CC2CC1CC(C2)OC(C)=O
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-4-8-3-9(5-10)11(2)6-8/h8-10H,3-6H2,1-2H3
Reactome pathway
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.67E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%