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SMILES: C\C(=C\CO\N=C1\CN2CCC1C2)C#Cc1cccs1

InChI Key: InChIKey=LRFVMXXZMDZDJC-FZYISYSWSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50213280   
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


(RAT)
BDBM50213280
PNG
(CHEMBL348079)
Show SMILES C\C(=C\CO\N=C1\CN2CCC1C2)C#Cc1cccs1 |THB:5:6:12:10.9|
Show InChI InChI=1S/C16H18N2OS/c1-13(4-5-15-3-2-10-20-15)7-9-19-17-16-12-18-8-6-14(16)11-18/h2-3,7,10,14H,6,8-9,11-12H2,1H3/b13-7-,17-16-
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B628P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50213280
PNG
(CHEMBL348079)
Show SMILES C\C(=C\CO\N=C1\CN2CCC1C2)C#Cc1cccs1 |THB:5:6:12:10.9|
Show InChI InChI=1S/C16H18N2OS/c1-13(4-5-15-3-2-10-20-15)7-9-19-17-16-12-18-8-6-14(16)11-18/h2-3,7,10,14H,6,8-9,11-12H2,1H3/b13-7-,17-16-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 608n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against muscarinic receptor using radioligand [3H]quinuclidinyl benzilate (QNB) binding assay in membrane preparations of rat neocor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B628P
More data for this
Ligand-Target Pair