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BDBM50030251 CHEMBL3354078

SMILES: O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc34)CC2)CC1

InChI Key: InChIKey=LOOAMMHLLVGAEL-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 = 50030251   
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 M1


(Homo sapiens (Human))
BDBM50030251
PNG
(CHEMBL3354078)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc34)CC2)CC1
Show InChI InChI=1S/C43H64N4O2/c48-42-22-20-38-16-8-10-18-40(38)46(42)30-12-28-44-32-24-36(25-33-44)14-6-4-2-1-3-5-7-15-37-26-34-45(35-27-37)29-13-31-47-41-19-11-9-17-39(41)21-23-43(47)49/h8-11,16-19,36-37H,1-7,12-15,20-35H2
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30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50030251
PNG
(CHEMBL3354078)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc34)CC2)CC1
Show InChI InChI=1S/C43H64N4O2/c48-42-22-20-38-16-8-10-18-40(38)46(42)30-12-28-44-32-24-36(25-33-44)14-6-4-2-1-3-5-7-15-37-26-34-45(35-27-37)29-13-31-47-41-19-11-9-17-39(41)21-23-43(47)49/h8-11,16-19,36-37H,1-7,12-15,20-35H2
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32n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50030251
PNG
(CHEMBL3354078)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc34)CC2)CC1
Show InChI InChI=1S/C43H64N4O2/c48-42-22-20-38-16-8-10-18-40(38)46(42)30-12-28-44-32-24-36(25-33-44)14-6-4-2-1-3-5-7-15-37-26-34-45(35-27-37)29-13-31-47-41-19-11-9-17-39(41)21-23-43(47)49/h8-11,16-19,36-37H,1-7,12-15,20-35H2
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49n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50030251
PNG
(CHEMBL3354078)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc34)CC2)CC1
Show InChI InChI=1S/C43H64N4O2/c48-42-22-20-38-16-8-10-18-40(38)46(42)30-12-28-44-32-24-36(25-33-44)14-6-4-2-1-3-5-7-15-37-26-34-45(35-27-37)29-13-31-47-41-19-11-9-17-39(41)21-23-43(47)49/h8-11,16-19,36-37H,1-7,12-15,20-35H2
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58n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50030251
PNG
(CHEMBL3354078)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc34)CC2)CC1
Show InChI InChI=1S/C43H64N4O2/c48-42-22-20-38-16-8-10-18-40(38)46(42)30-12-28-44-32-24-36(25-33-44)14-6-4-2-1-3-5-7-15-37-26-34-45(35-27-37)29-13-31-47-41-19-11-9-17-39(41)21-23-43(47)49/h8-11,16-19,36-37H,1-7,12-15,20-35H2
PDB

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79n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair