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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50029065   
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
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50281126
PNG
(1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethanone |...)
Show SMILES CC(C)(C)c1cccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3
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Article
0.00370n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica


Bioorg Med Chem Lett 3: 2619-2622 (1993)


Article DOI: 10.1016/S0960-894X(01)80727-7
BindingDB Entry DOI: 10.7270/Q2VX0GF9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50281127
PNG
(2,2,2-Trifluoro-1-(3-isopropyl-phenyl)-ethanone | ...)
Show SMILES CC(C)c1cccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C11H11F3O/c1-7(2)8-4-3-5-9(6-8)10(15)11(12,13)14/h3-7H,1-2H3
PDB
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Article
0.00850n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica


Bioorg Med Chem Lett 3: 2619-2622 (1993)


Article DOI: 10.1016/S0960-894X(01)80727-7
BindingDB Entry DOI: 10.7270/Q2VX0GF9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50281123
PNG
(2,2,2-Trifluoro-1-(3-trifluoromethyl-phenyl)-ethan...)
Show SMILES FC(F)(F)C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C9H4F6O/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4H
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CHEMBL
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Article
0.390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica


Bioorg Med Chem Lett 3: 2619-2622 (1993)


Article DOI: 10.1016/S0960-894X(01)80727-7
BindingDB Entry DOI: 10.7270/Q2VX0GF9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50281124
PNG
(1-(3-Ethyl-phenyl)-2,2,2-trifluoro-ethanone | CHEM...)
Show SMILES CCc1cccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H9F3O/c1-2-7-4-3-5-8(6-7)9(14)10(11,12)13/h3-6H,2H2,1H3
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
0.390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica


Bioorg Med Chem Lett 3: 2619-2622 (1993)


Article DOI: 10.1016/S0960-894X(01)80727-7
BindingDB Entry DOI: 10.7270/Q2VX0GF9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50281125
PNG
(2,2,2-Trifluoro-1-m-tolyl-ethanone | CHEMBL86868)
Show SMILES Cc1cccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H7F3O/c1-6-3-2-4-7(5-6)8(13)9(10,11)12/h2-5H,1H3
PDB
MMDB

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B.MOAD
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CHEMBL
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PC sid
UniChem

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Article
2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica


Bioorg Med Chem Lett 3: 2619-2622 (1993)


Article DOI: 10.1016/S0960-894X(01)80727-7
BindingDB Entry DOI: 10.7270/Q2VX0GF9
More data for this
Ligand-Target Pair