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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor' and Ligand = 'BDBM50368150'   
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


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
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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1.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
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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2.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
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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4.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
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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5.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
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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5.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
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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8.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
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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17n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
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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19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
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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n/an/an/a 5.40n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
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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n/an/an/a 4.80n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
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
PDB
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n/an/an/a 3.5n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair