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PubMed code 18198823

Compile data set for download or QSAR
Found 5 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))
BDBM32212
PNG
(1H-indol-5-ol | cid_16054)
Show SMILES Oc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
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Article
PubMed
n/an/an/an/a 1.00E+6n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity at human alpha-7 nACh receptor expressed in Xenopus laevis oocyte assessed as increase in acetylcholine-induced current


J Med Chem 51: 701-12 (2008)


Article DOI: 10.1021/jm070256g
BindingDB Entry DOI: 10.7270/Q2WS8V3B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50374403
PNG
(CHEMBL412119)
Show SMILES NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc12 |w:14.13,9.19,10.10,c:12|
Show InChI InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity at human alpha-7 nACh receptor expressed in Xenopus laevis oocyte assessed as increase in acetylcholine-induced current


J Med Chem 51: 701-12 (2008)


Article DOI: 10.1021/jm070256g
BindingDB Entry DOI: 10.7270/Q2WS8V3B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50374404
PNG
(CHEMBL270479 | JNJ-1930942)
Show SMILES OCc1sc(Nc2ccc(F)c(c2)C(F)(F)F)nc1-c1ccncc1
Show InChI InChI=1S/C16H11F4N3OS/c17-12-2-1-10(7-11(12)16(18,19)20)22-15-23-14(13(8-24)25-15)9-3-5-21-6-4-9/h1-7,24H,8H2,(H,22,23)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity at human alpha-7 nACh receptor expressed in Xenopus laevis oocyte assessed as increase in acetylcholine-induced current


J Med Chem 51: 701-12 (2008)


Article DOI: 10.1021/jm070256g
BindingDB Entry DOI: 10.7270/Q2WS8V3B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50374402
PNG
(CHEMBL257591 | PNU-120596)
Show SMILES COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl
Show InChI InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity at human alpha-7 nACh receptor expressed in Xenopus laevis oocyte assessed as increase in acetylcholine-induced current


J Med Chem 51: 701-12 (2008)


Article DOI: 10.1021/jm070256g
BindingDB Entry DOI: 10.7270/Q2WS8V3B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50374401
PNG
(CHEMBL407217)
Show SMILES Oc1ccc(Cl)cc1NC(=O)Nc1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)
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PubMed
n/an/an/an/a 3.40E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity at alpha7 nACh receptor assessed as modulation of acetylcholine-induced response


J Med Chem 51: 701-12 (2008)


Article DOI: 10.1021/jm070256g
BindingDB Entry DOI: 10.7270/Q2WS8V3B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%