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BDBM50018294 11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-9-methyl-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one::CHEMBL294919

SMILES: CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc12

InChI Key: InChIKey=AWNQBPUEPGODQB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50018294   
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)
BDBM50018294
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-4-28(5-2)16-19-9-6-7-14-29(19)17-23(31)30-22-15-18(3)11-12-20(22)25(32)27-21-10-8-13-26-24(21)30/h8,10-13,15,19H,4-7,9,14,16-17H2,1-3H3,(H,27,32)
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Article
PubMed
n/an/a 2.00E+3n/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)


Article DOI: 10.1021/jm00128a008
BindingDB Entry DOI: 10.7270/Q2XG9Q4Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50018294
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-4-28(5-2)16-19-9-6-7-14-29(19)17-23(31)30-22-15-18(3)11-12-20(22)25(32)27-21-10-8-13-26-24(21)30/h8,10-13,15,19H,4-7,9,14,16-17H2,1-3H3,(H,27,32)
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Article
PubMed
n/an/a 2.00E+3n/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)


Article DOI: 10.1021/jm00048a014
BindingDB Entry DOI: 10.7270/Q2QC02JX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018294
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-4-28(5-2)16-19-9-6-7-14-29(19)17-23(31)30-22-15-18(3)11-12-20(22)25(32)27-21-10-8-13-26-24(21)30/h8,10-13,15,19H,4-7,9,14,16-17H2,1-3H3,(H,27,32)
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PC sid
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Article
PubMed
n/an/a 70n/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)


Article DOI: 10.1021/jm00048a014
BindingDB Entry DOI: 10.7270/Q2QC02JX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018294
PNG
(11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C25H33N5O2/c1-4-28(5-2)16-19-9-6-7-14-29(19)17-23(31)30-22-15-18(3)11-12-20(22)25(32)27-21-10-8-13-26-24(21)30/h8,10-13,15,19H,4-7,9,14,16-17H2,1-3H3,(H,27,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/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)


Article DOI: 10.1021/jm00128a008
BindingDB Entry DOI: 10.7270/Q2XG9Q4Q
More data for this
Ligand-Target Pair