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BDBM50309862 4-Benzoxazo-2-yl-1,4-diazabicyclo[3.2.2]nonane::CHEMBL611082

SMILES: C1CN2CCC1N(CC2)c1nc2ccccc2o1

InChI Key: InChIKey=CXJLWJAYGMWLRR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50309862   
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
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50309862
PNG
(4-Benzoxazo-2-yl-1,4-diazabicyclo[3.2.2]nonane | C...)
Show SMILES C1CN2CCC1N(CC2)c1nc2ccccc2o1
Show InChI InChI=1S/C14H17N3O/c1-2-4-13-12(3-1)15-14(18-13)17-10-9-16-7-5-11(17)6-8-16/h1-4,11H,5-10H2
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 54: 7943-61 (2011)

More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50309862
PNG
(4-Benzoxazo-2-yl-1,4-diazabicyclo[3.2.2]nonane | C...)
Show SMILES C1CN2CCC1N(CC2)c1nc2ccccc2o1
Show InChI InChI=1S/C14H17N3O/c1-2-4-13-12(3-1)15-14(18-13)17-10-9-16-7-5-11(17)6-8-16/h1-4,11H,5-10H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cells


J Med Chem 53: 1222-37 (2010)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309862
PNG
(4-Benzoxazo-2-yl-1,4-diazabicyclo[3.2.2]nonane | C...)
Show SMILES C1CN2CCC1N(CC2)c1nc2ccccc2o1
Show InChI InChI=1S/C14H17N3O/c1-2-4-13-12(3-1)15-14(18-13)17-10-9-16-7-5-11(17)6-8-16/h1-4,11H,5-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50309862
PNG
(4-Benzoxazo-2-yl-1,4-diazabicyclo[3.2.2]nonane | C...)
Show SMILES C1CN2CCC1N(CC2)c1nc2ccccc2o1
Show InChI InChI=1S/C14H17N3O/c1-2-4-13-12(3-1)15-14(18-13)17-10-9-16-7-5-11(17)6-8-16/h1-4,11H,5-10H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
22.5n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR


J Med Chem 54: 7943-61 (2011)

More data for this
Ligand-Target Pair