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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Choline acetylase' 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
Choline acetylase


(Gallus gallus)
BDBM50280246
PNG
(4-((E)-2-Naphthalen-1-yl-vinyl)-1-propyl-pyridiniu...)
Show SMILES CCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H20N/c1-2-14-21-15-12-17(13-16-21)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,15-16H,2,14H2,1H3/q+1/b11-10+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
n/an/a 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against chick optic lobe choline acetyltransferase (ChAT)


Citation and Details
More data for this
Ligand-Target Pair
Choline acetylase


(Gallus gallus)
BDBM50280247
PNG
(1-Carbamoylmethyl-4-((E)-2-naphthalen-1-yl-vinyl)-...)
Show SMILES NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O/c20-19(22)14-21-12-10-15(11-13-21)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2,(H-,20,22)/p+1/b9-8+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 3.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against chick optic lobe choline acetyltransferase (ChAT)


Citation and Details
More data for this
Ligand-Target Pair
Choline acetylase


(Gallus gallus)
BDBM50280248
PNG
(1-Methyl-4-((E)-2-naphthalen-1-yl-vinyl)-pyridiniu...)
Show SMILES C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H16N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-14H,1H3/q+1/b10-9+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against chick optic lobe choline acetyltransferase (ChAT)


Citation and Details
More data for this
Ligand-Target Pair
Choline acetylase


(Gallus gallus)
BDBM50280246
PNG
(4-((E)-2-Naphthalen-1-yl-vinyl)-1-propyl-pyridiniu...)
Show SMILES CCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H20N/c1-2-14-21-15-12-17(13-16-21)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,15-16H,2,14H2,1H3/q+1/b11-10+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 5.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against chick choline acetyltransferase (ChAT)


Citation and Details
More data for this
Ligand-Target Pair