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BDBM50030249 CHEMBL3354077

SMILES: OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

InChI Key: InChIKey=ZOEYTLRCDGNMCU-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 = 50030249   
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 M4


(Homo sapiens (Human))
BDBM50030249
PNG
(CHEMBL3354077)
Show SMILES OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C30H50N2O2/c33-26-13-9-7-5-3-1-2-4-6-8-10-15-27-20-24-31(25-21-27)22-14-23-32-29-17-12-11-16-28(29)18-19-30(32)34/h11-12,16-17,27,33H,1-10,13-15,18-26H2
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PC sid
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95n/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


(Homo sapiens (Human))
BDBM50030249
PNG
(CHEMBL3354077)
Show SMILES OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C30H50N2O2/c33-26-13-9-7-5-3-1-2-4-6-8-10-15-27-20-24-31(25-21-27)22-14-23-32-29-17-12-11-16-28(29)18-19-30(32)34/h11-12,16-17,27,33H,1-10,13-15,18-26H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
186n/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 M3


(Homo sapiens (Human))
BDBM50030249
PNG
(CHEMBL3354077)
Show SMILES OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C30H50N2O2/c33-26-13-9-7-5-3-1-2-4-6-8-10-15-27-20-24-31(25-21-27)22-14-23-32-29-17-12-11-16-28(29)18-19-30(32)34/h11-12,16-17,27,33H,1-10,13-15,18-26H2
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339n/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 M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50030249
PNG
(CHEMBL3354077)
Show SMILES OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C30H50N2O2/c33-26-13-9-7-5-3-1-2-4-6-8-10-15-27-20-24-31(25-21-27)22-14-23-32-29-17-12-11-16-28(29)18-19-30(32)34/h11-12,16-17,27,33H,1-10,13-15,18-26H2
Reactome pathway
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PC sid
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Article
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339n/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 M2


(Homo sapiens (Human))
BDBM50030249
PNG
(CHEMBL3354077)
Show SMILES OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C30H50N2O2/c33-26-13-9-7-5-3-1-2-4-6-8-10-15-27-20-24-31(25-21-27)22-14-23-32-29-17-12-11-16-28(29)18-19-30(32)34/h11-12,16-17,27,33H,1-10,13-15,18-26H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
479n/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