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Target
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Compile Data Set for Download or QSAR
Found
4
hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50010101'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Muscarinic acetylcholine receptor M2
(RAT)
BDBM50010101
(2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarbo...)
Show SMILES
CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
Show InChI
InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
PDB
Reactome pathway
KEGG
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MCE
KEGG
PC cid
PC sid
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PubMed
5.10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
National Institute of Mental Health
Curated by
PDSP K
i
Database
Mol Pharmacol
35:
469
-
76
(1989)
BindingDB Entry DOI:
10.7270/Q2V69H2Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2
(RAT)
BDBM50010101
(2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarbo...)
Show SMILES
CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
Show InChI
InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
PubMed
32.4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Glaxo Group Research Ltd.
Curated by
PDSP K
i
Database
Mol Pharmacol
38:
805
-
15
(1990)
BindingDB Entry DOI:
10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2
(RAT)
BDBM50010101
(2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarbo...)
Show SMILES
CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
Show InChI
InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
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PubMed
47
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Virginia Commonwealth University
Curated by
ChEMBL
Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates
J Med Chem
34:
2984
-
9
(1991)
BindingDB Entry DOI:
10.7270/Q27H1K5M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human))
BDBM50010101
(2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarbo...)
Show SMILES
CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
Show InChI
InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
PubMed
244
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
National Institute of Mental Health
Curated by
PDSP K
i
Database
Mol Pharmacol
35:
469
-
76
(1989)
BindingDB Entry DOI:
10.7270/Q2V69H2Z
More data for this
Ligand-Target Pair
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