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BDBM50109644 CHEMBL177040::N-(1-Cyclohexylmethyl-piperidin-3-ylmethyl)-4-[2-(3,3,3-triphenyl-propionylamino)-acetylamino]-butyramide

SMILES: O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1

InChI Key: InChIKey=MVWIZZHMSROILD-UHFFFAOYNA-N

Data: 5 KI

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 = 50109644   
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


(Homo sapiens (Human))
BDBM50109644
PNG
(CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...)
Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46)
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PubMed
3.30n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50109644
PNG
(CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...)
Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46)
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PubMed
74n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M4


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50109644
PNG
(CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...)
Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46)
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PC sid
UniChem

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Article
PubMed
270n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS to membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M2


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50109644
PNG
(CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...)
Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
300n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M1


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50109644
PNG
(CHEMBL177040 | N-(1-Cyclohexylmethyl-piperidin-3-y...)
Show SMILES O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1/C40H52N4O3/c45-37(42-28-33-17-14-26-44(31-33)30-32-15-5-1-6-16-32)24-13-25-41-39(47)29-43-38(46)27-40(34-18-7-2-8-19-34,35-20-9-3-10-21-35)36-22-11-4-12-23-36/h2-4,7-12,18-23,32-33H,1,5-6,13-17,24-31H2,(H,41,47)(H,42,45)(H,43,46)
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Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M5


J Med Chem 45: 984-7 (2002)


Article DOI: 10.1021/jm010480k
BindingDB Entry DOI: 10.7270/Q2P26ZVK
More data for this
Ligand-Target Pair