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BDBM50005681 2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylamino-propyl ester::CHEMBL286008

SMILES: CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1

InChI Key: InChIKey=HPHMHCRNJVKYKE-UHFFFAOYSA-N

Data: 4 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50005681   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.70n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.90n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
27n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)
BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.


J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair