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SMILES: CN1CCC=C(C1)c1nsnc1SCCCF

InChI Key: InChIKey=NQKPPQNBFQLLIZ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50407330   
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)
BDBM50407330
PNG
(CHEMBL2112939)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4|
Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3
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PubMed
2.20n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat he...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM50407330
PNG
(CHEMBL2112939)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4|
Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3
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7.40n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]-Pirenzepine from bovi...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50407330
PNG
(CHEMBL2112939)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4|
Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3
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antibodypedia
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62.1n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Sigma receptor type 1 was determined by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig brai...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Cavia porcellus)
BDBM50407330
PNG
(CHEMBL2112939)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCF |c:4|
Show InChI InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3
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PubMed
80n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- scopolamine...


J Med Chem 38: 5-8 (1995)


BindingDB Entry DOI: 10.7270/Q2BC3XMW
More data for this
Ligand-Target Pair