BindingDB logo
myBDB logout

BDBM50373835 CHEMBL256202

SMILES: CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1

InChI Key: InChIKey=YYYAVCKEQQNXIB-UHFFFAOYSA-N

Data: 5 IC50

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 = 50373835   
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 M2


(RAT)
BDBM50373835
PNG
(CHEMBL256202)
Show SMILES CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
Show InChI InChI=1S/C18H28ClN3O/c1-3-5-6-7-18(23)20-15-8-9-17(16(19)14-15)22-12-10-21(4-2)11-13-22/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M2 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50373835
PNG
(CHEMBL256202)
Show SMILES CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
Show InChI InChI=1S/C18H28ClN3O/c1-3-5-6-7-18(23)20-15-8-9-17(16(19)14-15)22-12-10-21(4-2)11-13-22/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z
More data for this
Ligand-Target Pair
CHRM5


(RAT)
BDBM50373835
PNG
(CHEMBL256202)
Show SMILES CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
Show InChI InChI=1S/C18H28ClN3O/c1-3-5-6-7-18(23)20-15-8-9-17(16(19)14-15)22-12-10-21(4-2)11-13-22/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M5 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50373835
PNG
(CHEMBL256202)
Show SMILES CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
Show InChI InChI=1S/C18H28ClN3O/c1-3-5-6-7-18(23)20-15-8-9-17(16(19)14-15)22-12-10-21(4-2)11-13-22/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50373835
PNG
(CHEMBL256202)
Show SMILES CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
Show InChI InChI=1S/C18H28ClN3O/c1-3-5-6-7-18(23)20-15-8-9-17(16(19)14-15)22-12-10-21(4-2)11-13-22/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M3 receptor expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem Lett 18: 885-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z
More data for this
Ligand-Target Pair