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BDBM50356471 CHEMBL1911861

SMILES: Oc1c(oc2ccccc12)C1=NC2(CN1)CN1CCC2CC1

InChI Key: InChIKey=NXFRBVAXFVTZIA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50356471   
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))		BDBM50356471
PNG
(CHEMBL1911861)
Show SMILES Oc1c(oc2ccccc12)C1=NC2(CN1)CN1CCC2CC1 |t:12,(1.48,-2.66,;1.8,-1.16,;.78,-.01,;1.55,1.32,;3.06,1,;4.3,1.89,;5.7,1.27,;5.86,-.27,;4.61,-1.17,;3.21,-.53,;-.76,-.17,;-1.78,.98,;-3.19,.36,;-3.03,-1.17,;-1.53,-1.5,;-4.53,-.41,;-5.86,.36,;-5.86,1.89,;-4.52,2.66,;-3.18,1.9,;-3.96,.58,;-5.29,1.36,)|
Show InChI InChI=1S/C17H19N3O2/c21-14-12-3-1-2-4-13(12)22-15(14)16-18-9-17(19-16)10-20-7-5-11(17)6-8-20/h1-4,11,21H,5-10H2,(H,18,19)
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PC cid
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Article
PubMed
 7.20n/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