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SMILES: FCC1CCN(Cc2ccc(cc2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1

InChI Key: InChIKey=QHQVSQRVQMNKMD-DEOSSOPVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50513579   
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))		BDBM50513579
PNG
(CHEMBL4534225)
Show SMILES FCC1CCN(Cc2ccc(cc2)-c2ccc(s2)-c2cn(nn2)[C@H]2CN3CCC2CC3)CC1 |r,wU:23.25,(45.11,-36.08,;43.86,-36.99,;42.46,-36.36,;41.21,-37.26,;39.81,-36.63,;39.65,-35.11,;38.25,-34.48,;37,-35.39,;37.16,-36.92,;35.92,-37.83,;34.51,-37.19,;34.35,-35.67,;35.58,-34.77,;33.27,-38.1,;33.27,-39.63,;31.81,-40.11,;30.9,-38.87,;31.81,-37.63,;29.37,-38.87,;28.3,-40.05,;26.85,-39.4,;27.02,-37.82,;28.58,-37.5,;25.47,-40.19,;25.47,-41.78,;24.1,-42.57,;22.73,-41.78,;22.73,-40.19,;24.1,-39.39,;24.49,-40.76,;23.62,-41.23,;40.89,-34.19,;42.3,-34.82,)|
Show InChI InChI=1S/C26H32FN5S/c27-15-19-7-11-30(12-8-19)16-20-1-3-22(4-2-20)25-5-6-26(33-25)23-17-32(29-28-23)24-18-31-13-9-21(24)10-14-31/h1-6,17,19,21,24H,7-16,18H2/t24-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
 1.40n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis

Eur J Med Chem 179: 449-469 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.049
More data for this
Ligand-Target Pair