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BDBM50006618 CHEMBL3235481

SMILES: Fc1ccc2-c3ccc(cc3S(=O)(=O)c2c1)N1CCN2CCC1CC2

InChI Key: InChIKey=TYQSTXACTJXVQJ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006618   
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))		BDBM50006618
PNG
(CHEMBL3235481)
Show SMILES Fc1ccc2-c3ccc(cc3S(=O)(=O)c2c1)N1CCN2CCC1CC2 |(13.82,-9.04,;15.35,-8.88,;16.26,-10.11,;17.79,-9.95,;18.42,-8.54,;19.88,-8.06,;21.21,-8.84,;22.55,-8.07,;22.56,-6.52,;21.21,-5.75,;19.89,-6.52,;18.42,-6.05,;18.74,-4.54,;17.27,-5.02,;17.52,-7.3,;15.98,-7.46,;23.89,-5.75,;25.09,-6.71,;26.59,-6.36,;27.26,-4.99,;26.59,-3.59,;25.09,-3.25,;23.89,-4.2,;25.18,-4.23,;25.82,-5.8,)|
Show InChI InChI=1S/C19H19FN2O2S/c20-13-1-3-16-17-4-2-15(12-19(17)25(23,24)18(16)11-13)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2
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Article
PubMed
 1n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis

J Med Chem 56: 7574-89 (2013)


Article DOI: 10.1021/jm401184f
BindingDB Entry DOI: 10.7270/Q2Z3215R
More data for this
Ligand-Target Pair