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BDBM50109650 CHEMBL369062::N-{2-[(1-Cyclohexylmethyl-piperidin-3-ylmethyl)-carbamoyl]-ethyl}-4-(3,3,3-triphenyl-propionylamino)-butyramide

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

InChI Key: InChIKey=KUKJOLRCPDCJAJ-UHFFFAOYSA-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 = 50109650   
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))
BDBM50109650
PNG
(CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...)
Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)
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2.10n/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)


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


(Homo sapiens (Human))
BDBM50109650
PNG
(CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...)
Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)
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17n/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)


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


(Homo sapiens (Human))
BDBM50109650
PNG
(CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...)
Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)
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60n/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)


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


(Homo sapiens (Human))
BDBM50109650
PNG
(CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...)
Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)
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77n/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)


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


(Homo sapiens (Human))
BDBM50109650
PNG
(CHEMBL369062 | N-{2-[(1-Cyclohexylmethyl-piperidin...)
Show SMILES O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)
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200n/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)


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