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BDBM50356468 CHEMBL1911856

SMILES: Brc1ccc(s1)C1=NCC2(CN3CCC2CC3)NC(=O)C1

InChI Key: InChIKey=PPXIWRXFOATFAB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50356468   
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


(Rattus norvegicus (Rat))		BDBM50356468
PNG
(CHEMBL1911856)
Show SMILES Brc1ccc(s1)C1=NCC2(CN3CCC2CC3)NC(=O)C1 |t:7,(21.14,-13.08,;19.9,-12.16,;19.93,-10.62,;18.47,-10.12,;17.55,-11.35,;18.43,-12.61,;16,-11.34,;15.32,-12.72,;13.8,-13.05,;12.61,-12.06,;12.61,-13.6,;11.28,-14.37,;9.95,-13.6,;9.95,-12.06,;11.28,-11.29,;12.03,-12.62,;10.69,-13.38,;12.63,-10.52,;13.86,-9.58,;13.54,-8.07,;15.36,-9.94,)|
Show InChI InChI=1S/C15H18BrN3OS/c16-13-2-1-12(21-13)11-7-14(20)18-15(8-17-11)9-19-5-3-10(15)4-6-19/h1-2,10H,3-9H2,(H,18,20)
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Article
PubMed
 77n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting

Eur J Med Chem 46: 5625-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.033
BindingDB Entry DOI: 10.7270/Q2639Q4D
More data for this
Ligand-Target Pair