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Target
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Compile Data Set for Download or QSAR
Found
6
hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1/M2/M3/M4/M5' and Ligand = 'BDBM50009300'
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 M1/M2/M3/M4/M5
(RAT)
BDBM50009300
(CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...)
Show SMILES
CN(CC#CCN1CCCC1)C(C)=O
Show InChI
InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
0.920
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Upjohn Company
Curated by
ChEMBL
Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)
J Med Chem
34:
2314
-
27
(1991)
BindingDB Entry DOI:
10.7270/Q2057J5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT)
BDBM50009300
(CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...)
Show SMILES
CN(CC#CCN1CCCC1)C(C)=O
Show InChI
InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
260
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Upjohn Company
Curated by
ChEMBL
Assay Description
Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]QNB radioligand (in vitro)
J Med Chem
34:
2314
-
27
(1991)
BindingDB Entry DOI:
10.7270/Q2057J5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human))
BDBM50009300
(CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...)
Show SMILES
CN(CC#CCN1CCCC1)C(C)=O
Show InChI
InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
4.96E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
NIDDK
Curated by
ChEMBL
Assay Description
Binding affinity was determined using [3H]-NMS for Muscarinic acetylcholine receptor in SK-N-SH neuroblastoma cells
J Med Chem
33:
741
-
8
(1990)
BindingDB Entry DOI:
10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT)
BDBM50009300
(CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...)
Show SMILES
CN(CC#CCN1CCCC1)C(C)=O
Show InChI
InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
n/a
n/a
4.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor
Bioorg Med Chem Lett
2:
803
-
808
(1992)
Article DOI:
10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI:
10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(RAT)
BDBM50009300
(CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...)
Show SMILES
CN(CC#CCN1CCCC1)C(C)=O
Show InChI
InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
n/a
n/a
2.45E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of 0.03 nM [3H]quinuclidinyl benzylate binding to rat neocortex muscarinic receptor
Bioorg Med Chem Lett
2:
803
-
808
(1992)
Article DOI:
10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI:
10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human))
BDBM50009300
(CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...)
Show SMILES
CN(CC#CCN1CCCC1)C(C)=O
Show InChI
InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
PubMed
n/a
n/a
n/a
2.20E+3
n/a
n/a
n/a
n/a
n/a
University of Uppsala
Curated by
ChEMBL
Assay Description
Equilibrium dissociation constant muscarinic receptor complex, measured in guinea pig ileum
J Med Chem
31:
577
-
82
(1988)
BindingDB Entry DOI:
10.7270/Q2TX3HMS
More data for this
Ligand-Target Pair