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BDBM50500423 CHEMBL3747289

SMILES: COCOCCOc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2

InChI Key: InChIKey=DYIGIMLEBWSGDU-IBGZPJMESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50500423   
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-7


(Rattus norvegicus (Rat))		BDBM50500423
PNG
(CHEMBL3747289)
Show SMILES COCOCCOc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:18.19,(-10.01,9.72,;-9.44,8.63,;-7.9,8.58,;-7.17,7.22,;-5.63,7.16,;-4.91,5.8,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)|
Show InChI InChI=1S/C19H26N4O3/c1-24-14-25-10-11-26-17-4-2-15(3-5-17)18-12-23(21-20-18)19-13-22-8-6-16(19)7-9-22/h2-5,12,16,19H,6-11,13-14H2,1H3/t19-/m0/s1
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PC cid
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Article
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 225n/an/an/an/an/an/an/an/a



Universite Orleans

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices

Eur J Med Chem 107: 153-64 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW
More data for this
Ligand-Target Pair