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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4' AND taxid = 9031   
Target
(Institution)
LigandTarget
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-4


(Gallus gallus)
BDBM50251867
PNG
(CHEMBL518310 | N-(3-((6-chloropyridin-3-yl)methyl)...)
Show SMILES FC(F)(F)C(=O)\N=c1/sccn1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C11H7ClF3N3OS/c12-8-2-1-7(5-16-8)6-18-3-4-20-10(18)17-9(19)11(13,14)15/h1-5H,6H2/b17-10-
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from chick alpha4beta2 nAChR


J Med Chem 51: 4213-8 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Gallus gallus)
BDBM50251868
PNG
((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...)
Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1
Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-
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Article
PubMed
n/an/a 860n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from chick alpha4beta2 nAChR


J Med Chem 51: 4213-8 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Gallus gallus)
BDBM50252631
PNG
(CHEMBL494278 | N-(3-((6-chloropyridin-3-yl)methyl)...)
Show SMILES Clc1ccc(Cn2ccs\c2=N/C(=O)c2cnccn2)cn1
Show InChI InChI=1S/C14H10ClN5OS/c15-12-2-1-10(7-18-12)9-20-5-6-22-14(20)19-13(21)11-8-16-3-4-17-11/h1-8H,9H2/b19-14-
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Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from chick alpha4beta2 nAChR


J Med Chem 51: 4213-8 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Gallus gallus)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from chick alpha4beta2 nAChR


J Med Chem 51: 4213-8 (2008)

More data for this
Ligand-Target Pair