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BDBM50332836 CHEMBL1630294::syn(2S,5'R)-(-)-3-Methoxy-5-(1-methylpyrrolidin-2-yl)-4,5-dihydroisoxazole

SMILES: COC1=NO[C@H](C1)[C@@H]1CCCN1C

InChI Key: InChIKey=ZEDLJHYUUZMPBO-JGVFFNPUSA-N

Data: 2 KI

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 = 50332836   
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50332836
PNG
(CHEMBL1630294 | syn(2S,5'R)-(-)-3-Methoxy-5-(1-met...)
Show SMILES COC1=NO[C@H](C1)[C@@H]1CCCN1C |r,t:2|
Show InChI InChI=1S/C9H16N2O2/c1-11-5-3-4-7(11)8-6-9(12-2)10-13-8/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-Bungarotoxin from alpha7 nAChR rat cortical membranes by gamma counting


Eur J Med Chem 45: 5594-601 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.009
BindingDB Entry DOI: 10.7270/Q2BC3ZSJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50332836
PNG
(CHEMBL1630294 | syn(2S,5'R)-(-)-3-Methoxy-5-(1-met...)
Show SMILES COC1=NO[C@H](C1)[C@@H]1CCCN1C |r,t:2|
Show InChI InChI=1S/C9H16N2O2/c1-11-5-3-4-7(11)8-6-9(12-2)10-13-8/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.03E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membranes by beta counting


Eur J Med Chem 45: 5594-601 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.009
BindingDB Entry DOI: 10.7270/Q2BC3ZSJ
More data for this
Ligand-Target Pair