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PubMed code 25036795

Compile data set for download or QSAR
Found 45 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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052204
PNG
(CHEMBL3318392)
Show SMILES Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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1.10n/an/an/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE using acetylthiocholine iodide substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052204
PNG
(CHEMBL3318392)
Show SMILES Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 0.440n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052206
PNG
(CHEMBL3318391)
Show SMILES Fc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15FN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 1.30n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052208
PNG
(CHEMBL3318394)
Show SMILES Brc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15BrN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 1.5n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052210
PNG
(CHEMBL3318398)
Show SMILES Fc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H14ClFN2O/c22-18-5-3-6-19(23)17(18)13-25-10-8-14(9-11-25)12-16-15-4-1-2-7-20(15)24-21(16)26/h1-12H,13H2/p+1
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n/an/a 4.10n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052212
PNG
(CHEMBL3318400)
Show SMILES Clc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15ClN2O/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25/h1-13H,14H2/p+1
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n/an/a 4.90n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052214
PNG
(CHEMBL3318402)
Show SMILES [Cl-].Cc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C22H18N2O.ClH/c1-16-5-4-6-18(13-16)15-24-11-9-17(10-12-24)14-20-19-7-2-3-8-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
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n/an/a 5.20n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052215
PNG
(CHEMBL3318403)
Show SMILES [Cl-].COc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C22H18N2O2.ClH/c1-26-18-6-4-5-17(13-18)15-24-11-9-16(10-12-24)14-20-19-7-2-3-8-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
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n/an/a 6.60n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052213
PNG
(CHEMBL3318401)
Show SMILES Brc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15BrN2O/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25/h1-13H,14H2/p+1
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n/an/a 10n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052216
PNG
(CHEMBL3318404)
Show SMILES [Cl-].Fc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15FN2O.ClH/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 13n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052207
PNG
(CHEMBL3318393)
Show SMILES Cc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C22H18N2O/c1-16-6-2-3-7-18(16)15-24-12-10-17(11-13-24)14-20-19-8-4-5-9-21(19)23-22(20)25/h2-14H,15H2,1H3/p+1
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n/an/a 15n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052211
PNG
(CHEMBL3318399)
Show SMILES Clc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H14Cl2N2O/c22-18-5-3-6-19(23)17(18)13-25-10-8-14(9-11-25)12-16-15-4-1-2-7-20(15)24-21(16)26/h1-12H,13H2/p+1
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n/an/a 17n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052222
PNG
(CHEMBL3318408)
Show SMILES [Cl-].Clc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1Cl
Show InChI InChI=1S/C21H14Cl2N2O.ClH/c22-18-6-5-15(12-19(18)23)13-25-9-7-14(8-10-25)11-17-16-3-1-2-4-20(16)24-21(17)26;/h1-12H,13H2;1H
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n/an/a 29n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052205
PNG
(CHEMBL3318390)
Show SMILES O=C1Nc2ccccc2\C1=C/c1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C21H16N2O/c24-21-19(18-8-4-5-9-20(18)22-21)14-16-10-12-23(13-11-16)15-17-6-2-1-3-7-17/h1-14H,15H2/p+1
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n/an/a 47n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052202
PNG
(CHEMBL3318410)
Show SMILES ClCc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C22H17ClN2O/c23-14-17-5-7-18(8-6-17)15-25-11-9-16(10-12-25)13-20-19-3-1-2-4-21(19)24-22(20)26/h1-13H,14-15H2/p+1
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n/an/a 103n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052209
PNG
(CHEMBL3318395)
Show SMILES [O-][N+](=O)c1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15N3O3/c25-21-18(17-6-2-3-7-19(17)22-21)13-15-9-11-23(12-10-15)14-16-5-1-4-8-20(16)24(26)27/h1-13H,14H2/p+1
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n/an/a 214n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052203
PNG
(CHEMBL3318409)
Show SMILES Clc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl2N2O/c22-16-6-5-15(19(23)12-16)13-25-9-7-14(8-10-25)11-18-17-3-1-2-4-20(17)24-21(18)26/h1-12H,13H2/p+1
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n/an/a 258n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052218
PNG
(CHEMBL3318406)
Show SMILES [Cl-].Clc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15ClN2O.ClH/c22-17-7-5-16(6-8-17)14-24-11-9-15(10-12-24)13-19-18-3-1-2-4-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 590n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052219
PNG
(CHEMBL3318407)
Show SMILES [Cl-].Brc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15BrN2O.ClH/c22-17-7-5-16(6-8-17)14-24-11-9-15(10-12-24)13-19-18-3-1-2-4-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 653n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052217
PNG
(CHEMBL3318405)
Show SMILES [Cl-].Fc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15FN2O.ClH/c22-17-7-5-16(6-8-17)14-24-11-9-15(10-12-24)13-19-18-3-1-2-4-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 677n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052220
PNG
(CHEMBL3318396)
Show SMILES [Cl-].COc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C22H18N2O2.ClH/c1-26-18-8-6-17(7-9-18)15-24-12-10-16(11-13-24)14-20-19-4-2-3-5-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
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n/an/a 677n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052221
PNG
(CHEMBL3318397)
Show SMILES [Cl-].[O-][N+](=O)c1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15N3O3.ClH/c25-21-19(18-3-1-2-4-20(18)22-21)13-15-9-11-23(12-10-15)14-16-5-7-17(8-6-16)24(26)27;/h1-13H,14H2;1H
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n/an/a 744n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052207
PNG
(CHEMBL3318393)
Show SMILES Cc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C22H18N2O/c1-16-6-2-3-7-18(16)15-24-12-10-17(11-13-24)14-20-19-8-4-5-9-21(19)23-22(20)25/h2-14H,15H2,1H3/p+1
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n/an/a 887n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052202
PNG
(CHEMBL3318410)
Show SMILES ClCc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C22H17ClN2O/c23-14-17-5-7-18(8-6-17)15-25-11-9-16(10-12-25)13-20-19-3-1-2-4-21(19)24-22(20)26/h1-13H,14-15H2/p+1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052208
PNG
(CHEMBL3318394)
Show SMILES Brc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15BrN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 1.23E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052212
PNG
(CHEMBL3318400)
Show SMILES Clc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15ClN2O/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25/h1-13H,14H2/p+1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052204
PNG
(CHEMBL3318392)
Show SMILES Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 1.37E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052211
PNG
(CHEMBL3318399)
Show SMILES Clc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H14Cl2N2O/c22-18-5-3-6-19(23)17(18)13-25-10-8-14(9-11-25)12-16-15-4-1-2-7-20(15)24-21(16)26/h1-12H,13H2/p+1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052209
PNG
(CHEMBL3318395)
Show SMILES [O-][N+](=O)c1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15N3O3/c25-21-18(17-6-2-3-7-19(17)22-21)13-15-9-11-23(12-10-15)14-16-5-1-4-8-20(16)24(26)27/h1-13H,14H2/p+1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052214
PNG
(CHEMBL3318402)
Show SMILES [Cl-].Cc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C22H18N2O.ClH/c1-16-5-4-6-18(13-16)15-24-11-9-17(10-12-24)14-20-19-7-2-3-8-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052213
PNG
(CHEMBL3318401)
Show SMILES Brc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15BrN2O/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25/h1-13H,14H2/p+1
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n/an/a 1.74E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052219
PNG
(CHEMBL3318407)
Show SMILES [Cl-].Brc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15BrN2O.ClH/c22-17-7-5-16(6-8-17)14-24-11-9-15(10-12-24)13-19-18-3-1-2-4-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 1.90E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052210
PNG
(CHEMBL3318398)
Show SMILES Fc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H14ClFN2O/c22-18-5-3-6-19(23)17(18)13-25-10-8-14(9-11-25)12-16-15-4-1-2-7-20(15)24-21(16)26/h1-12H,13H2/p+1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052218
PNG
(CHEMBL3318406)
Show SMILES [Cl-].Clc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15ClN2O.ClH/c22-17-7-5-16(6-8-17)14-24-11-9-15(10-12-24)13-19-18-3-1-2-4-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 2.20E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052203
PNG
(CHEMBL3318409)
Show SMILES Clc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl2N2O/c22-16-6-5-15(19(23)12-16)13-25-9-7-14(8-10-25)11-18-17-3-1-2-4-20(17)24-21(18)26/h1-12H,13H2/p+1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052215
PNG
(CHEMBL3318403)
Show SMILES [Cl-].COc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C22H18N2O2.ClH/c1-26-18-6-4-5-17(13-18)15-24-11-9-16(10-12-24)14-20-19-7-2-3-8-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
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n/an/a 2.80E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052217
PNG
(CHEMBL3318405)
Show SMILES [Cl-].Fc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15FN2O.ClH/c22-17-7-5-16(6-8-17)14-24-11-9-15(10-12-24)13-19-18-3-1-2-4-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 3.10E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052222
PNG
(CHEMBL3318408)
Show SMILES [Cl-].Clc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1Cl
Show InChI InChI=1S/C21H14Cl2N2O.ClH/c22-18-6-5-15(12-19(18)23)13-25-9-7-14(8-10-25)11-17-16-3-1-2-4-20(16)24-21(17)26;/h1-12H,13H2;1H
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n/an/a 3.30E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052206
PNG
(CHEMBL3318391)
Show SMILES Fc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15FN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 4.27E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052205
PNG
(CHEMBL3318390)
Show SMILES O=C1Nc2ccccc2\C1=C/c1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C21H16N2O/c24-21-19(18-8-4-5-9-20(18)22-21)14-16-10-12-23(13-11-16)15-17-6-2-1-3-7-17/h1-14H,15H2/p+1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052216
PNG
(CHEMBL3318404)
Show SMILES [Cl-].Fc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15FN2O.ClH/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 4.50E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 5.38E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052221
PNG
(CHEMBL3318397)
Show SMILES [Cl-].[O-][N+](=O)c1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C21H15N3O3.ClH/c25-21-19(18-3-1-2-4-20(18)22-21)13-15-9-11-23(12-10-15)14-16-5-7-17(8-6-16)24(26)27;/h1-13H,14H2;1H
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50052220
PNG
(CHEMBL3318396)
Show SMILES [Cl-].COc1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C22H18N2O2.ClH/c1-26-18-8-6-17(7-9-18)15-24-12-10-16(11-13-24)14-20-19-4-2-3-5-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%