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SMILES: CCN(CC)C(=O)c1ccncc1OC[C@@H]1CCCN1C

InChI Key: InChIKey=UMBPYHXNYNHLFR-ZDUSSCGKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50069854   
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 subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50069854
PNG
(CHEMBL310893 | N,N-Diethyl-3-((S)-1-methyl-pyrroli...)
Show SMILES CCN(CC)C(=O)c1ccncc1OC[C@@H]1CCCN1C
Show InChI InChI=1S/C16H25N3O2/c1-4-19(5-2)16(20)14-8-9-17-11-15(14)21-12-13-7-6-10-18(13)3/h8-9,11,13H,4-7,10,12H2,1-3H3/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
 2.83E+3n/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