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BDBM50069836 3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-trifluoromethyl-pyridine::CHEMBL86004

SMILES: CN1CCC[C@H]1COc1cncc(c1)C(F)(F)F

InChI Key: InChIKey=WKNCGEBUTIJXEI-JTQLQIEISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50069836   
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))
BDBM50069836
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-trifluor...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C12H15F3N2O/c1-17-4-2-3-10(17)8-18-11-5-9(6-16-7-11)12(13,14)15/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
1.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair