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BDBM50069830 CHEMBL84537::Ethyl-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-amine

SMILES: CCNc1cncc(OC[C@@H]2CCCN2C)c1

InChI Key: InChIKey=VFJRCOBUZDBCFV-LBPRGKRZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50069830   
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))
BDBM50069830
PNG
(CHEMBL84537 | Ethyl-[5-((S)-1-methyl-pyrrolidin-2-...)
Show SMILES CCNc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C13H21N3O/c1-3-15-11-7-13(9-14-8-11)17-10-12-5-4-6-16(12)2/h7-9,12,15H,3-6,10H2,1-2H3/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
3.70n/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