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SMILES: C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1

InChI Key: InChIKey=HGVRINLIZKXTQO-UHFFFAOYSA-N

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 4 hits for monomerid = 50061722   
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))
BDBM50061722
PNG
(CHEMBL341447 | [4-(3-Chloro-benzoyloxy)-but-2-ynyl...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClNO2/c1-16(2,3)9-4-5-10-18-14(17)12-7-6-8-13(15)11-12/h6-8,11H,9-10H2,1-3H3/q+1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50061722
PNG
(CHEMBL341447 | [4-(3-Chloro-benzoyloxy)-but-2-ynyl...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClNO2/c1-16(2,3)9-4-5-10-18-14(17)12-7-6-8-13(15)11-12/h6-8,11H,9-10H2,1-3H3/q+1
PDB

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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50061722
PNG
(CHEMBL341447 | [4-(3-Chloro-benzoyloxy)-but-2-ynyl...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClNO2/c1-16(2,3)9-4-5-10-18-14(17)12-7-6-8-13(15)11-12/h6-8,11H,9-10H2,1-3H3/q+1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity against human Muscarinic acetylcholine receptor M1 using quinuclidynyl benzylate (QNB)


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50061722
PNG
(CHEMBL341447 | [4-(3-Chloro-benzoyloxy)-but-2-ynyl...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClNO2/c1-16(2,3)9-4-5-10-18-14(17)12-7-6-8-13(15)11-12/h6-8,11H,9-10H2,1-3H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity of the compound is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor ...


J Med Chem 40: 4265-80 (1998)


Article DOI: 10.1021/jm9702903
BindingDB Entry DOI: 10.7270/Q2S46R2D
More data for this
Ligand-Target Pair