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BDBM50006621 CHEMBL3235487

SMILES: Ic1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2

InChI Key: InChIKey=BJNBJBFZIZJIQH-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006621   
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))		BDBM50006621
PNG
(CHEMBL3235487)
Show SMILES Ic1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(29.41,-16.94,;30.31,-18.18,;29.68,-19.6,;30.58,-20.84,;32.11,-20.67,;32.75,-19.26,;34.21,-18.78,;35.54,-19.56,;36.88,-18.79,;36.88,-17.24,;35.54,-16.47,;34.21,-17.24,;32.75,-16.77,;33.07,-15.26,;31.6,-15.74,;31.84,-18.02,;38.22,-16.47,;39.42,-17.43,;40.92,-17.09,;41.58,-15.71,;40.92,-14.31,;39.42,-13.97,;38.22,-14.92,;39.51,-14.95,;40.15,-16.52,)|
Show InChI InChI=1S/C19H19IN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2
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Article
PubMed
 0.930n/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