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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1/M2/M3/M4/M5' and Ligand = 'BDBM50065221'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM50065221
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-((E)-3-methyl-p...)
Show SMILES C\C(=C/CO\N=C1/CN2CCC1C2)C#C
Show InChI InChI=1S/C12H16N2O/c1-3-10(2)5-7-15-13-12-9-14-6-4-11(12)8-14/h1,5,11H,4,6-9H2,2H3/b10-5+,13-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

n/an/a 4n/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)
BDBM50065221
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-((E)-3-methyl-p...)
Show SMILES C\C(=C/CO\N=C1/CN2CCC1C2)C#C
Show InChI InChI=1S/C12H16N2O/c1-3-10(2)5-7-15-13-12-9-14-6-4-11(12)8-14/h1,5,11H,4,6-9H2,2H3/b10-5+,13-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

n/an/a 2.06E+3n/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