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BDBM50319931 (1S,4S)-5-(6-chloropyridazin-3-yl)-2,2-dimethyl-5-aza-2-azoniabicyclo[2.2.1]heptane iodide::CHEMBL1083279

SMILES: C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1

InChI Key: InChIKey=MZVVCFQYWJKQKI-IUCAKERBSA-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 = 50319931   
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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50319931
PNG
((1S,4S)-5-(6-chloropyridazin-3-yl)-2,2-dimethyl-5-...)
Show SMILES C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1 |r|
Show InChI InChI=1S/C11H16ClN4/c1-16(2)7-8-5-9(16)6-15(8)11-4-3-10(12)13-14-11/h3-4,8-9H,5-7H2,1-2H3/q+1/t8-,9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319931
PNG
((1S,4S)-5-(6-chloropyridazin-3-yl)-2,2-dimethyl-5-...)
Show SMILES C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1 |r|
Show InChI InChI=1S/C11H16ClN4/c1-16(2)7-8-5-9(16)6-15(8)11-4-3-10(12)13-14-11/h3-4,8-9H,5-7H2,1-2H3/q+1/t8-,9-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21.5n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair