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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'huang' and Initial = 'zh'   
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))		BDBM50433027
PNG
(CHEMBL2375941)
Show SMILES Fc1ccc[n+](CC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1
Show InChI InChI=1S/C25H16FN5O2/c26-15-4-3-10-30(13-15)14-22(32)27-16-7-8-21-19(12-16)25(33)31-11-9-18-17-5-1-2-6-20(17)28-23(18)24(31)29-21/h1-13H,14H2,(H-,27,28,29,32,33)/p+1
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n/an/a 0.600n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433028
PNG
(CHEMBL2375940)
Show SMILES O=C(C[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C25H17N5O2/c31-22(15-29-11-4-1-5-12-29)26-16-8-9-21-19(14-16)25(32)30-13-10-18-17-6-2-3-7-20(17)27-23(18)24(30)28-21/h1-14H,15H2,(H-,26,27,28,31,32)/p+1
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n/an/a 0.800n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433018
PNG
(CHEMBL2375923)
Show SMILES Fc1ccc[n+](CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1
Show InChI InChI=1S/C26H18FN5O2/c27-16-4-3-11-31(15-16)12-10-23(33)28-17-7-8-22-20(14-17)26(34)32-13-9-19-18-5-1-2-6-21(18)29-24(19)25(32)30-22/h1-9,11,13-15H,10,12H2,(H-,28,29,30,33,34)/p+1
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n/an/a 2.10n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433019
PNG
(CHEMBL2375922)
Show SMILES O=C(CC[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C26H19N5O2/c32-23(11-14-30-12-4-1-5-13-30)27-17-8-9-22-20(16-17)26(33)31-15-10-19-18-6-2-3-7-21(18)28-24(19)25(31)29-22/h1-10,12-13,15-16H,11,14H2,(H-,27,28,29,32,33)/p+1
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n/an/a 2.30n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433022
PNG
(CHEMBL2375919)
Show SMILES O=C(COc1cccnc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C25H17N5O3/c31-22(14-33-16-4-3-10-26-13-16)27-15-7-8-21-19(12-15)25(32)30-11-9-18-17-5-1-2-6-20(17)28-23(18)24(30)29-21/h1-13,28H,14H2,(H,27,31)
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n/an/a 3.10n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433005
PNG
(CHEMBL2375936)
Show SMILES O=C(CCC[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C27H21N5O2/c33-24(9-6-15-31-13-4-1-5-14-31)28-18-10-11-23-21(17-18)27(34)32-16-12-20-19-7-2-3-8-22(19)29-25(20)26(32)30-23/h1-5,7-8,10-14,16-17H,6,9,15H2,(H-,28,29,30,33,34)/p+1
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n/an/a 3.90n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433026
PNG
(CHEMBL2375942)
Show SMILES Cn1cc[n+](CC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1
Show InChI InChI=1S/C24H18N6O2/c1-28-10-11-29(14-28)13-21(31)25-15-6-7-20-18(12-15)24(32)30-9-8-17-16-4-2-3-5-19(16)26-22(17)23(30)27-20/h2-12,14H,13H2,1H3,(H-,25,26,27,31,32)/p+1
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n/an/a 8n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433017
PNG
(CHEMBL2375924)
Show SMILES Cn1cc[n+](CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1
Show InChI InChI=1S/C25H20N6O2/c1-29-12-13-30(15-29)10-9-22(32)26-16-6-7-21-19(14-16)25(33)31-11-8-18-17-4-2-3-5-20(17)27-23(18)24(31)28-21/h2-8,11-15H,9-10H2,1H3,(H-,26,27,28,32,33)/p+1
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n/an/a 9.30n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433004
PNG
(CHEMBL2375937)
Show SMILES Cn1cc[n+](CCCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1
Show InChI InChI=1S/C26H22N6O2/c1-30-13-14-31(16-30)11-4-7-23(33)27-17-8-9-22-20(15-17)26(34)32-12-10-19-18-5-2-3-6-21(18)28-24(19)25(32)29-22/h2-3,5-6,8-10,12-16H,4,7,11H2,1H3,(H-,27,28,29,33,34)/p+1
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n/an/a 12n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433010
PNG
(CHEMBL2375931)
Show SMILES O=C(CCOc1cccnc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C26H19N5O3/c32-23(10-13-34-17-4-3-11-27-15-17)28-16-7-8-22-20(14-16)26(33)31-12-9-19-18-5-1-2-6-21(18)29-24(19)25(31)30-22/h1-9,11-12,14-15,29H,10,13H2,(H,28,32)
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n/an/a 14n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433014
PNG
(CHEMBL2375927)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C25H23N5O2/c31-22(10-13-29-11-3-4-12-29)26-16-7-8-21-19(15-16)25(32)30-14-9-18-17-5-1-2-6-20(17)27-23(18)24(30)28-21/h1-2,5-9,14-15,27H,3-4,10-13H2,(H,26,31)
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n/an/a 14n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 33n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433013
PNG
(CHEMBL2375928)
Show SMILES O=C(CCN1CCCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C26H25N5O2/c32-23(11-14-30-12-4-1-5-13-30)27-17-8-9-22-20(16-17)26(33)31-15-10-19-18-6-2-3-7-21(18)28-24(19)25(31)29-22/h2-3,6-10,15-16,28H,1,4-5,11-14H2,(H,27,32)
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n/an/a 51n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433016
PNG
(CHEMBL2375925)
Show SMILES CN(C)CCC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C23H21N5O2/c1-27(2)11-10-20(29)24-14-7-8-19-17(13-14)23(30)28-12-9-16-15-5-3-4-6-18(15)25-21(16)22(28)26-19/h3-9,12-13,25H,10-11H2,1-2H3,(H,24,29)
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n/an/a 56n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50316368
PNG
(3-(2-N-Pyrrolyl-acetamino)-7,8-dehydrorutaecarpine...)
Show SMILES O=C(CN1CCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C24H21N5O2/c30-21(14-28-10-3-4-11-28)25-15-7-8-20-18(13-15)24(31)29-12-9-17-16-5-1-2-6-19(16)26-22(17)23(29)27-20/h1-2,5-9,12-13,26H,3-4,10-11,14H2,(H,25,30)
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n/an/a 59n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433015
PNG
(CHEMBL2375926)
Show SMILES CCN(CC)CCC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C25H25N5O2/c1-3-29(4-2)13-12-22(31)26-16-9-10-21-19(15-16)25(32)30-14-11-18-17-7-5-6-8-20(17)27-23(18)24(30)28-21/h5-11,14-15,27H,3-4,12-13H2,1-2H3,(H,26,31)
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n/an/a 64n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433025
PNG
(CHEMBL2375943)
Show SMILES CN(C)CC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C22H19N5O2/c1-26(2)12-19(28)23-13-7-8-18-16(11-13)22(29)27-10-9-15-14-5-3-4-6-17(14)24-20(15)21(27)25-18/h3-11,24H,12H2,1-2H3,(H,23,28)
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n/an/a 70n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50316367
PNG
(3-(2-Diethylamino-acetamino)-7,8-dehydrorutaecarpi...)
Show SMILES CCN(CC)CC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C24H23N5O2/c1-3-28(4-2)14-21(30)25-15-9-10-20-18(13-15)24(31)29-12-11-17-16-7-5-6-8-19(16)26-22(17)23(29)27-20/h5-13,26H,3-4,14H2,1-2H3,(H,25,30)
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n/an/a 70n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50316369
PNG
(3-(2-N-Piperidyl-acetamino)-7,8-dehydrorutaecarpin...)
Show SMILES O=C(CN1CCCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C25H23N5O2/c31-22(15-29-11-4-1-5-12-29)26-16-8-9-21-19(14-16)25(32)30-13-10-18-17-6-2-3-7-20(17)27-23(18)24(30)28-21/h2-3,6-10,13-14,27H,1,4-5,11-12,15H2,(H,26,31)
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n/an/a 70n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433021
PNG
(CHEMBL2375920)
Show SMILES O=C(CNc1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C26H19N5O2/c32-23(15-27-16-6-2-1-3-7-16)28-17-10-11-22-20(14-17)26(33)31-13-12-19-18-8-4-5-9-21(18)29-24(19)25(31)30-22/h1-14,27,29H,15H2,(H,28,32)
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n/an/a 78n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433012
PNG
(CHEMBL2375929)
Show SMILES O=C(CCN1CCOCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C25H23N5O3/c31-22(8-9-29-11-13-33-14-12-29)26-16-5-6-21-19(15-16)25(32)30-10-7-18-17-3-1-2-4-20(17)27-23(18)24(30)28-21/h1-7,10,15,27H,8-9,11-14H2,(H,26,31)
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n/an/a 79n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433003
PNG
(CHEMBL2375938)
Show SMILES O=C(CCCN1CCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C26H25N5O2/c32-23(8-5-14-30-12-3-4-13-30)27-17-9-10-22-20(16-17)26(33)31-15-11-19-18-6-1-2-7-21(18)28-24(19)25(31)29-22/h1-2,6-7,9-11,15-16,28H,3-5,8,12-14H2,(H,27,32)
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n/an/a 85n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433009
PNG
(CHEMBL2375932)
Show SMILES O=C(CCNc1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C27H21N5O2/c33-24(12-14-28-17-6-2-1-3-7-17)29-18-10-11-23-21(16-18)27(34)32-15-13-20-19-8-4-5-9-22(19)30-25(20)26(32)31-23/h1-11,13,15-16,28,30H,12,14H2,(H,29,33)
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n/an/a 88n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433024
PNG
(CHEMBL2375944)
Show SMILES O=C(CN1CCOCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C24H21N5O3/c30-21(14-28-9-11-32-12-10-28)25-15-5-6-20-18(13-15)24(31)29-8-7-17-16-3-1-2-4-19(16)26-22(17)23(29)27-20/h1-8,13,26H,9-12,14H2,(H,25,30)
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n/an/a 88n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 100n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 108n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433008
PNG
(CHEMBL2375933)
Show SMILES O=C(CCc1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C27H20N4O2/c32-24(13-10-17-6-2-1-3-7-17)28-18-11-12-23-21(16-18)27(33)31-15-14-20-19-8-4-5-9-22(19)29-25(20)26(31)30-23/h1-9,11-12,14-16,29H,10,13H2,(H,28,32)
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n/an/a 108n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433020
PNG
(CHEMBL2375921)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C26H18N4O2/c31-23(14-16-6-2-1-3-7-16)27-17-10-11-22-20(15-17)26(32)30-13-12-19-18-8-4-5-9-21(18)28-24(19)25(30)29-22/h1-13,15,28H,14H2,(H,27,31)
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n/an/a 116n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433002
PNG
(CHEMBL2375939)
Show SMILES O=C(CCCc1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C28H22N4O2/c33-25(12-6-9-18-7-2-1-3-8-18)29-19-13-14-24-22(17-19)28(34)32-16-15-21-20-10-4-5-11-23(20)30-26(21)27(32)31-24/h1-5,7-8,10-11,13-17,30H,6,9,12H2,(H,29,33)
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n/an/a 136n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433006
PNG
(CHEMBL2375935)
Show SMILES C[N+]1(CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)CCCC1
Show InChI InChI=1S/C26H25N5O2/c1-31(13-4-5-14-31)15-11-23(32)27-17-8-9-22-20(16-17)26(33)30-12-10-19-18-6-2-3-7-21(18)28-24(19)25(30)29-22/h2-3,6-10,12,16H,4-5,11,13-15H2,1H3,(H-,27,28,29,32,33)/p+1
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n/an/a 137n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433011
PNG
(CHEMBL2375930)
Show SMILES CN1CCN(CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)CC1
Show InChI InChI=1S/C26H26N6O2/c1-30-12-14-31(15-13-30)10-9-23(33)27-17-6-7-22-20(16-17)26(34)32-11-8-19-18-4-2-3-5-21(18)28-24(19)25(32)29-22/h2-8,11,16,28H,9-10,12-15H2,1H3,(H,27,33)
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n/an/a 141n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433023
PNG
(CHEMBL2375945)
Show SMILES CN1CCN(CC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)CC1
Show InChI InChI=1S/C25H24N6O2/c1-29-10-12-30(13-11-29)15-22(32)26-16-6-7-21-19(14-16)25(33)31-9-8-18-17-4-2-3-5-20(17)27-23(18)24(31)28-21/h2-9,14,27H,10-13,15H2,1H3,(H,26,32)
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n/an/a 158n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50542436
PNG
(CHEMBL4644802)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccccc1Br
Show InChI InChI=1S/C25H18BrNO/c1-17-24(23(28)16-15-18-9-5-7-13-21(18)26)25(19-10-3-2-4-11-19)20-12-6-8-14-22(20)27-17/h2-16H,1H3/b16-15+
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n/an/a 190n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50433007
PNG
(CHEMBL2375934)
Show SMILES C[N+](C)(C)CCC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C24H23N5O2/c1-29(2,3)13-11-21(30)25-15-8-9-20-18(14-15)24(31)28-12-10-17-16-6-4-5-7-19(16)26-22(17)23(28)27-20/h4-10,12,14H,11,13H2,1-3H3,(H-,25,26,27,30,31)/p+1
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n/an/a 197n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50542435
PNG
(CHEMBL4642218)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C25H18FNO/c1-17-24(23(28)16-13-18-11-14-20(26)15-12-18)25(19-7-3-2-4-8-19)21-9-5-6-10-22(21)27-17/h2-16H,1H3/b16-13+
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n/an/a 290n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50542437
PNG
(CHEMBL4641093)
Show SMILES CC(C)c1ccc(\C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C28H25NO/c1-19(2)22-16-13-21(14-17-22)15-18-26(30)27-20(3)29-25-12-8-7-11-24(25)28(27)23-9-5-4-6-10-23/h4-19H,1-3H3/b18-15+
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n/an/a 320n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))		BDBM50493329
PNG
(CHEMBL2424901)
Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)C1COC2=C(Br)C(=O)C(=O)c3cccc1c23 |c:21|
Show InChI InChI=1S/C25H22BrN3O3/c1-2-3-4-6-15-9-11-16(12-10-15)19-13-29(28-27-19)20-14-32-25-21-17(20)7-5-8-18(21)23(30)24(31)22(25)26/h5,7-13,20H,2-4,6,14H2,1H3
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n/an/a 920n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2alpha using pBR322 DNA after 30 mins by agarose gel electrophoresis

Eur J Med Chem 68: 58-71 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.011
BindingDB Entry DOI: 10.7270/Q21Z47CX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM7781
PNG
(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)
Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by kinase-glo assay method

Bioorg Med Chem Lett 22: 7232-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.043
BindingDB Entry DOI: 10.7270/Q2KD2034
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM7781
PNG
(4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione ...)
Show SMILES Cn1sc(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using 650HSSPHQ(pS)EDEEE as substrate after 30 mins by luminescence assay

Eur J Med Chem 61: 95-103 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.021
BindingDB Entry DOI: 10.7270/Q24J0GF0
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))		BDBM50349933
PNG
(CHEMBL1812144)
Show SMILES ClC1=C2OC=C(CC=C)c3cccc(C(=O)C1=O)c23 |c:1,t:4|
Show InChI InChI=1S/C15H9ClO3/c1-2-4-8-7-19-15-11-9(8)5-3-6-10(11)13(17)14(18)12(15)16/h2-3,5-7H,1,4H2
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n/an/a 1.54E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis

Eur J Med Chem 46: 3339-47 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.059
BindingDB Entry DOI: 10.7270/Q2513ZJD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50433027
PNG
(CHEMBL2375941)
Show SMILES Fc1ccc[n+](CC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1
Show InChI InChI=1S/C25H16FN5O2/c26-15-4-3-10-30(13-15)14-22(32)27-16-7-8-21-19(12-16)25(33)31-11-9-18-17-5-1-2-6-20(17)28-23(18)24(31)29-21/h1-13H,14H2,(H-,27,28,29,32,33)/p+1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))		BDBM50349934
PNG
(CHEMBL1812139)
Show SMILES CC1COC2=CC(=O)C(=O)c3cccc1c23 |t:4|
Show InChI InChI=1S/C13H10O3/c1-7-6-16-11-5-10(14)13(15)9-4-2-3-8(7)12(9)11/h2-5,7H,6H2,1H3
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n/an/a 1.88E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis

Eur J Med Chem 46: 3339-47 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.059
BindingDB Entry DOI: 10.7270/Q2513ZJD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50433028
PNG
(CHEMBL2375940)
Show SMILES O=C(C[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C25H17N5O2/c31-22(15-29-11-4-1-5-12-29)26-16-8-9-21-19(14-16)25(32)30-13-10-18-17-6-2-3-7-20(17)27-23(18)24(30)28-21/h1-14H,15H2,(H-,26,27,28,31,32)/p+1
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n/an/a 2.45E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50433018
PNG
(CHEMBL2375923)
Show SMILES Fc1ccc[n+](CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1
Show InChI InChI=1S/C26H18FN5O2/c27-16-4-3-11-31(15-16)12-10-23(33)28-17-7-8-22-20(14-17)26(34)32-13-9-19-18-5-1-2-6-21(18)29-24(19)25(32)30-22/h1-9,11,13-15H,10,12H2,(H-,28,29,30,33,34)/p+1
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n/an/a 3.49E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50433005
PNG
(CHEMBL2375936)
Show SMILES O=C(CCC[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C27H21N5O2/c33-24(9-6-15-31-13-4-1-5-14-31)28-18-10-11-23-21(17-18)27(34)32-16-12-20-19-7-2-3-8-22(19)29-25(20)26(32)30-23/h1-5,7-8,10-14,16-17H,6,9,15H2,(H-,28,29,30,33,34)/p+1
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n/an/a 4.16E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50433019
PNG
(CHEMBL2375922)
Show SMILES O=C(CC[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C26H19N5O2/c32-23(11-14-30-12-4-1-5-13-30)27-17-8-9-22-20(16-17)26(33)31-15-10-19-18-6-2-3-7-21(18)28-24(19)25(31)29-22/h1-10,12-13,15-16H,11,14H2,(H-,27,28,29,32,33)/p+1
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n/an/a 4.29E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50401965
PNG
(PALINURIN)
Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)

Eur J Med Chem 61: 95-103 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.021
BindingDB Entry DOI: 10.7270/Q24J0GF0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50401965
PNG
(PALINURIN)
Show SMILES CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,21,23H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18?,21?,23-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Non-ATP competitive inhibition of GSK3beta

Bioorg Med Chem Lett 22: 7232-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.043
BindingDB Entry DOI: 10.7270/Q2KD2034
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))		BDBM50349932
PNG
(CHEMBL1812137)
Show SMILES OC1(Cc2ccccc2)COC2=CC(=O)C(=O)c3cccc1c23 |t:12|
Show InChI InChI=1S/C19H14O4/c20-15-9-16-17-13(18(15)21)7-4-8-14(17)19(22,11-23-16)10-12-5-2-1-3-6-12/h1-9,22H,10-11H2
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n/an/a 4.88E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis

Eur J Med Chem 46: 3339-47 (2011)


Article DOI: 10.1016/j.ejmech.2011.04.059
BindingDB Entry DOI: 10.7270/Q2513ZJD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50433010
PNG
(CHEMBL2375931)
Show SMILES O=C(CCOc1cccnc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C26H19N5O3/c32-23(10-13-34-17-4-3-11-27-15-17)28-16-7-8-22-20(14-16)26(33)31-12-9-19-18-5-1-2-6-21(18)29-24(19)25(31)30-22/h1-9,11-12,14-15,29H,10,13H2,(H,28,32)
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n/an/a 6.43E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for...

Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
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