BindingDB logo
myBDB logout

null

SMILES: CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCC1

InChI Key: InChIKey=ODSKHBXLHLMOTH-UHFFFAOYSA-N

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 4 hits for monomerid = 50018314   
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 M3


(RAT)
BDBM50018314
PNG
(11-(2-{2-[(Cyclohexyl-methyl-amino)-methyl]-piperi...)
Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCC1
Show InChI InChI=1S/C27H35N5O2/c1-30(20-10-3-2-4-11-20)18-21-12-7-8-17-31(21)19-25(33)32-24-15-6-5-13-22(24)27(34)29-23-14-9-16-28-26(23)32/h5-6,9,13-16,20-21H,2-4,7-8,10-12,17-19H2,1H3,(H,29,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 150n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Binding affinity for glandular muscarinic acetylcholine receptor M3 in rat assayed using 0.3 nM [3H]-N-methylscopolamine as radioligand


J Med Chem 32: 1718-24 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9Q4Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018314
PNG
(11-(2-{2-[(Cyclohexyl-methyl-amino)-methyl]-piperi...)
Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCC1
Show InChI InChI=1S/C27H35N5O2/c1-30(20-10-3-2-4-11-20)18-21-12-7-8-17-31(21)19-25(33)32-24-15-6-5-13-22(24)27(34)29-23-14-9-16-28-26(23)32/h5-6,9,13-16,20-21H,2-4,7-8,10-12,17-19H2,1H3,(H,29,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of muscarinic (M2) receptor isolated from rat atria


J Med Chem 37: 3775-88 (1994)


BindingDB Entry DOI: 10.7270/Q2QC02JX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50018314
PNG
(11-(2-{2-[(Cyclohexyl-methyl-amino)-methyl]-piperi...)
Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCC1
Show InChI InChI=1S/C27H35N5O2/c1-30(20-10-3-2-4-11-20)18-21-12-7-8-17-31(21)19-25(33)32-24-15-6-5-13-22(24)27(34)29-23-14-9-16-28-26(23)32/h5-6,9,13-16,20-21H,2-4,7-8,10-12,17-19H2,1H3,(H,29,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 150n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of rat submandibular muscarinic (M3) receptor isolated from tissue homogenates


J Med Chem 37: 3775-88 (1994)


BindingDB Entry DOI: 10.7270/Q2QC02JX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018314
PNG
(11-(2-{2-[(Cyclohexyl-methyl-amino)-methyl]-piperi...)
Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCC1
Show InChI InChI=1S/C27H35N5O2/c1-30(20-10-3-2-4-11-20)18-21-12-7-8-17-31(21)19-25(33)32-24-15-6-5-13-22(24)27(34)29-23-14-9-16-28-26(23)32/h5-6,9,13-16,20-21H,2-4,7-8,10-12,17-19H2,1H3,(H,29,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Binding affinity to the rat cardiac muscarinic acetylcholine receptor M2 using 0.3 nM [3H]-N-methylscopolamine as radioligand


J Med Chem 32: 1718-24 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9Q4Q
More data for this
Ligand-Target Pair