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PubMed code 23507153

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50433470
PNG
(CHEMBL2380928)
Show SMILES FCCn1ccc2ccc(cc12)-c1nnc(o1)N1CCN2CCC1CC2 |(20.47,-8.19,;19.69,-9.52,;18.15,-9.5,;17.39,-8.17,;18.31,-6.92,;17.41,-5.67,;15.94,-6.14,;14.6,-5.37,;13.27,-6.14,;13.27,-7.67,;14.6,-8.44,;15.93,-7.68,;11.94,-8.44,;11.46,-9.91,;9.92,-9.91,;9.44,-8.44,;10.69,-7.53,;7.97,-7.96,;7.76,-6.43,;6.44,-5.64,;4.99,-6.19,;4.52,-7.65,;5.37,-8.93,;6.91,-9.07,;5.9,-8.06,;6.43,-7.06,)|
Show InChI InChI=1S/C19H22FN5O/c20-6-10-24-9-3-14-1-2-15(13-17(14)24)18-21-22-19(26-18)25-12-11-23-7-4-16(25)5-8-23/h1-3,9,13,16H,4-8,10-12H2
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 2.5n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from human alpha7 nAChR transfected in human SH-SY5Y cells after 240 mins by liquid scintillation counting an...

Bioorg Med Chem 21: 2635-42 (2013)


Article DOI: 10.1016/j.bmc.2013.02.018
BindingDB Entry DOI: 10.7270/Q28K7BFK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50433471
PNG
(CHEMBL2380802)
Show SMILES Fc1ccc(cc1)-c1nnc(o1)N1CCN2CCC1CC2 |(37.92,-5.9,;36.59,-6.67,;35.24,-5.9,;33.91,-6.67,;33.92,-8.2,;35.25,-8.98,;36.58,-8.22,;32.58,-8.97,;32.1,-10.44,;30.56,-10.44,;30.07,-8.97,;31.33,-8.06,;28.61,-8.49,;28.4,-6.96,;27.07,-6.17,;25.63,-6.72,;25.15,-8.19,;26.01,-9.47,;27.55,-9.6,;26.54,-8.59,;27.07,-7.59,)|
Show InChI InChI=1S/C15H17FN4O/c16-12-3-1-11(2-4-12)14-17-18-15(21-14)20-10-9-19-7-5-13(20)6-8-19/h1-4,13H,5-10H2
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 12n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR (unknown origin)

Bioorg Med Chem 21: 2635-42 (2013)


Article DOI: 10.1016/j.bmc.2013.02.018
BindingDB Entry DOI: 10.7270/Q28K7BFK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50296742
PNG
(1,4-diazabicyclo[3.2.2]nonane-(4-bromo)-phenyl car...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.51,4.96,;.33,3.96,;.6,2.44,;-.59,1.45,;-2.03,1.98,;-3.21,.98,;-4.67,1.51,;-4.94,3.03,;-5.85,.51,;-5.48,-.96,;-6.49,-.24,;-7.87,-.31,;-7.95,1.4,;-7.33,2.56,;-7.26,1.14,;-8.56,.43,;-8.86,-1.01,;-2.31,3.49,;-1.14,4.49,)|
Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
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Article
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 14n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-BTX from human alpha7 nAChR expressed in rat GH4C1 cells after 60 mins

Bioorg Med Chem 21: 2635-42 (2013)


Article DOI: 10.1016/j.bmc.2013.02.018
BindingDB Entry DOI: 10.7270/Q28K7BFK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50433470
PNG
(CHEMBL2380928)
Show SMILES FCCn1ccc2ccc(cc12)-c1nnc(o1)N1CCN2CCC1CC2 |(20.47,-8.19,;19.69,-9.52,;18.15,-9.5,;17.39,-8.17,;18.31,-6.92,;17.41,-5.67,;15.94,-6.14,;14.6,-5.37,;13.27,-6.14,;13.27,-7.67,;14.6,-8.44,;15.93,-7.68,;11.94,-8.44,;11.46,-9.91,;9.92,-9.91,;9.44,-8.44,;10.69,-7.53,;7.97,-7.96,;7.76,-6.43,;6.44,-5.64,;4.99,-6.19,;4.52,-7.65,;5.37,-8.93,;6.91,-9.07,;5.9,-8.06,;6.43,-7.06,)|
Show InChI InChI=1S/C19H22FN5O/c20-6-10-24-9-3-14-1-2-15(13-17(14)24)18-21-22-19(26-18)25-12-11-23-7-4-16(25)5-8-23/h1-3,9,13,16H,4-8,10-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Helmholtz-Zentrum Dresden-Rossendorf

Curated by ChEMBL


Assay Description
Displacement of (+/-)[3H]-epibatidine from human alpha4beta2 nAChR transfected in HEK293 cells after 90 mins by liquid scintillation counting analysi...

Bioorg Med Chem 21: 2635-42 (2013)


Article DOI: 10.1016/j.bmc.2013.02.018
BindingDB Entry DOI: 10.7270/Q28K7BFK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%