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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 182.2
BDBM50280574

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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)
BDBM50280574
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-tert-butyl-oxim...)
Show SMILES CC(C)(C)O\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
Show InChI InChI=1S/C10H18N2O/c1-10(2,3)13-11-9-7-12-5-4-8(9)6-12/h8H,4-7H2,1-3H3/b11-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a 91n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50280574
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-tert-butyl-oxim...)
Show SMILES CC(C)(C)O\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
Show InChI InChI=1S/C10H18N2O/c1-10(2,3)13-11-9-7-12-5-4-8(9)6-12/h8H,4-7H2,1-3H3/b11-9+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 3.84E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50280574
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-tert-butyl-oxim...)
Show SMILES CC(C)(C)O\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
Show InChI InChI=1S/C10H18N2O/c1-10(2,3)13-11-9-7-12-5-4-8(9)6-12/h8H,4-7H2,1-3H3/b11-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 4.46E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M2 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair