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BDBM50216327 (1R,4R)-2-(6-chloro-5-hydroxy-3-pyridinyl)-2,5-diazabicyclo-[2.2.1]heptane::(1S,4S)-2-(6-chloro-5-hydroxy-3-pyridinyl)-2,5-diazabicyclo-[2.2.1]heptane::CHEMBL242487

SMILES: Oc1cc(cnc1Cl)N1CC2CC1CN2

InChI Key: InChIKey=ATZCFKPMQXDUNL-UHFFFAOYNA-N

Data: 2 EC50

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 = 50216327   
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 Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50216327
PNG
((1R,4R)-2-(6-chloro-5-hydroxy-3-pyridinyl)-2,5-dia...)
Show SMILES Oc1cc(cnc1Cl)N1CC2CC1CN2
Show InChI InChI=1/C10H12ClN3O/c11-10-9(15)2-8(4-13-10)14-5-6-1-7(14)3-12-6/h2,4,6-7,12,15H,1,3,5H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at alpha-4-beta-2 in IMR-32cells assessed as calcium influx by FLIPR assay


J Med Chem 50: 3627-44 (2007)


Article DOI: 10.1021/jm070018l
BindingDB Entry DOI: 10.7270/Q2KS6SSX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50216327
PNG
((1R,4R)-2-(6-chloro-5-hydroxy-3-pyridinyl)-2,5-dia...)
Show SMILES Oc1cc(cnc1Cl)N1CC2CC1CN2
Show InChI InChI=1/C10H12ClN3O/c11-10-9(15)2-8(4-13-10)14-5-6-1-7(14)3-12-6/h2,4,6-7,12,15H,1,3,5H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.50E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at alpha-4-beta-2 in IMR-32cells assessed as calcium influx by FLIPR assay


J Med Chem 50: 3627-44 (2007)


Article DOI: 10.1021/jm070018l
BindingDB Entry DOI: 10.7270/Q2KS6SSX
More data for this
Ligand-Target Pair