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BDBM50083075 3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[2.2.1]heptane::3-[1-(3-Methyl-isoxazol-5-yl)-meth-(E)-ylidene]-1-aza-bicyclo[2.2.1]heptane::CHEMBL291442

SMILES: Cc1cc(\C=C2\CN3CCC2C3)on1

InChI Key: InChIKey=LNIKTCCVSHMIFS-YHYXMXQVSA-N

Data: 2 IC50

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 2 hits for monomerid = 50083075   
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


(RAT)
BDBM50083075
PNG
(3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...)
Show SMILES Cc1cc(\C=C2\CN3CCC2C3)on1 |THB:4:5:11:9.8|
Show InChI InChI=1S/C11H14N2O/c1-8-4-11(14-12-8)5-10-7-13-3-2-9(10)6-13/h4-5,9H,2-3,6-7H2,1H3/b10-5-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required for in vitro binding affinity to cholinergic central muscarinic receptor on rat brain cortex by using [3H]OXO-M


Bioorg Med Chem Lett 7: 1963-1968 (1997)


Article DOI: 10.1016/S0960-894X(97)00347-8
BindingDB Entry DOI: 10.7270/Q2J67GX6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50083075
PNG
(3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...)
Show SMILES Cc1cc(\C=C2\CN3CCC2C3)on1 |THB:4:5:11:9.8|
Show InChI InChI=1S/C11H14N2O/c1-8-4-11(14-12-8)5-10-7-13-3-2-9(10)6-13/h4-5,9H,2-3,6-7H2,1H3/b10-5-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line sf 9 by using...


Bioorg Med Chem Lett 7: 1963-1968 (1997)


Article DOI: 10.1016/S0960-894X(97)00347-8
BindingDB Entry DOI: 10.7270/Q2J67GX6
More data for this
Ligand-Target Pair