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BDBM50030248 CHEMBL3354076

SMILES: OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

InChI Key: InChIKey=GKFAOGATDDYRDQ-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 = 50030248   
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))
BDBM50030248
PNG
(CHEMBL3354076)
Show SMILES OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C28H46N2O2/c31-24-11-7-5-3-1-2-4-6-8-13-25-18-22-29(23-19-25)20-12-21-30-27-15-10-9-14-26(27)16-17-28(30)32/h9-10,14-15,25,31H,1-8,11-13,16-24H2
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PC sid
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112n/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))
BDBM50030248
PNG
(CHEMBL3354076)
Show SMILES OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C28H46N2O2/c31-24-11-7-5-3-1-2-4-6-8-13-25-18-22-29(23-19-25)20-12-21-30-27-15-10-9-14-26(27)16-17-28(30)32/h9-10,14-15,25,31H,1-8,11-13,16-24H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
123n/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 M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50030248
PNG
(CHEMBL3354076)
Show SMILES OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C28H46N2O2/c31-24-11-7-5-3-1-2-4-6-8-13-25-18-22-29(23-19-25)20-12-21-30-27-15-10-9-14-26(27)16-17-28(30)32/h9-10,14-15,25,31H,1-8,11-13,16-24H2
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347n/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))
BDBM50030248
PNG
(CHEMBL3354076)
Show SMILES OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C28H46N2O2/c31-24-11-7-5-3-1-2-4-6-8-13-25-18-22-29(23-19-25)20-12-21-30-27-15-10-9-14-26(27)16-17-28(30)32/h9-10,14-15,25,31H,1-8,11-13,16-24H2
PDB

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417n/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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50030248
PNG
(CHEMBL3354076)
Show SMILES OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C28H46N2O2/c31-24-11-7-5-3-1-2-4-6-8-13-25-18-22-29(23-19-25)20-12-21-30-27-15-10-9-14-26(27)16-17-28(30)32/h9-10,14-15,25,31H,1-8,11-13,16-24H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
575n/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