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SMILES: Brc1cc(c(o1)C1=CN2CCC1CC2)-c1ccccc1

InChI Key: InChIKey=BNLVIXOVYRJUTA-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 3 hits for monomerid = 50471449   
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/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471449
PNG
(CHEMBL333670)
Show SMILES Brc1cc(c(o1)C1=CN2CCC1CC2)-c1ccccc1 |t:7,(16.43,-5.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;12.46,-6.27,;13.87,-6.91,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,;11.46,-3.73,;10.02,-4.21,;8.87,-3.19,;9.19,-1.68,;10.63,-1.2,;11.79,-2.21,)|
Show InChI InChI=1S/C17H16BrNO/c18-16-10-14(12-4-2-1-3-5-12)17(20-16)15-11-19-8-6-13(15)7-9-19/h1-5,10-11,13H,6-9H2
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1.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471449
PNG
(CHEMBL333670)
Show SMILES Brc1cc(c(o1)C1=CN2CCC1CC2)-c1ccccc1 |t:7,(16.43,-5.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;12.46,-6.27,;13.87,-6.91,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,;11.46,-3.73,;10.02,-4.21,;8.87,-3.19,;9.19,-1.68,;10.63,-1.2,;11.79,-2.21,)|
Show InChI InChI=1S/C17H16BrNO/c18-16-10-14(12-4-2-1-3-5-12)17(20-16)15-11-19-8-6-13(15)7-9-19/h1-5,10-11,13H,6-9H2
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2.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471449
PNG
(CHEMBL333670)
Show SMILES Brc1cc(c(o1)C1=CN2CCC1CC2)-c1ccccc1 |t:7,(16.43,-5.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;12.46,-6.27,;13.87,-6.91,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,;11.46,-3.73,;10.02,-4.21,;8.87,-3.19,;9.19,-1.68,;10.63,-1.2,;11.79,-2.21,)|
Show InChI InChI=1S/C17H16BrNO/c18-16-10-14(12-4-2-1-3-5-12)17(20-16)15-11-19-8-6-13(15)7-9-19/h1-5,10-11,13H,6-9H2
PDB
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UniChem
Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair