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Compile Data Set for Download or QSAR

Found 203 hits with Last Name = 'ahmed' and Initial = 'e'   
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))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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440n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176468
PNG
(CHEMBL202223 | haloxysterol B)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H48O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8-9,15,17-19,21-27,30-32H,7,10-14,16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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850n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176465
PNG
(CHEMBL382961 | haloxysterol C)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h13,17-20,23-25,27,31H,7-12,14-16H2,1-6H3/t19-,20+,23?,24+,25?,27+,28-,29+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176467
PNG
(CHEMBL201253 | haloxysterol D)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20?,21+,22?,23?,24+,25-,26+,27+,28-,29-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176468
PNG
(CHEMBL202223 | haloxysterol B)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H48O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8-9,15,17-19,21-27,30-32H,7,10-14,16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176470
PNG
(24-ethyl-cholest-7-ene-3,5,6-triol | CHEMBL201951)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(O)C4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h16,18-21,23-26,30-32H,7-15,17H2,1-6H3/t19-,20?,21+,23-,24+,25+,26?,27-,28-,29?/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176472
PNG
(CHEMBL202496 | lawsaritol)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,23-27,30H,7-17H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176466
PNG
(24-ethylcholest-6-ene-3,5-diol | CHEMBL201866)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O2/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,19-26,30-31H,7-12,14-16,18H2,1-6H3/t20-,21?,22+,23+,24-,25+,26+,27-,28-,29?/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176466
PNG
(24-ethylcholest-6-ene-3,5-diol | CHEMBL201866)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O2/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,19-26,30-31H,7-12,14-16,18H2,1-6H3/t20-,21?,22+,23+,24-,25+,26+,27-,28-,29?/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176469
PNG
(CHEMBL202221 | haloxysterol A)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8,17-19,21-27,30-32H,7,9-16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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4.50E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176473
PNG
((24S)-ethylcholesta-7,9(11),22(E)-triene-3b-ol | C...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,15,19-26,30H,7,12-14,16-18H2,1-6H3/b9-8+/t20-,21-,22?,23+,24+,25-,26+,28+,29-/m1/s1
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4.60E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176471
PNG
(5alpha,8alpha-epidioxy-(24S)-ethylcholesta-6,9(11)...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)C(C)C
Show InChI InChI=1S/C29H44O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,13,16-17,19-24,30H,7,10-12,14-15,18H2,1-6H3/b9-8+/t20-,21-,22+,23-,24-,26-,27-,28-,29+/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176469
PNG
(CHEMBL202221 | haloxysterol A)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8,17-19,21-27,30-32H,7,9-16H2,1-6H3/t18-,19+,21+,22?,23+,24?,25?,26+,27-,28+,29-/m0/s1
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7.60E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176470
PNG
(24-ethyl-cholest-7-ene-3,5,6-triol | CHEMBL201951)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(O)C4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h16,18-21,23-26,30-32H,7-15,17H2,1-6H3/t19-,20?,21+,23-,24+,25+,26?,27-,28-,29?/m1/s1
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1.26E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176472
PNG
(CHEMBL202496 | lawsaritol)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,23-27,30H,7-17H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
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1.61E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176467
PNG
(CHEMBL201253 | haloxysterol D)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20?,21+,22?,23?,24+,25-,26+,27+,28-,29-/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50176465
PNG
(CHEMBL382961 | haloxysterol C)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h13,17-20,23-25,27,31H,7-12,14-16H2,1-6H3/t19-,20+,23?,24+,25?,27+,28-,29+/m0/s1
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1.80E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176473
PNG
((24S)-ethylcholesta-7,9(11),22(E)-triene-3b-ol | C...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
Show InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,15,19-26,30H,7,12-14,16-18H2,1-6H3/b9-8+/t20-,21-,22?,23+,24+,25-,26+,28+,29-/m1/s1
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2.06E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50176471
PNG
(5alpha,8alpha-epidioxy-(24S)-ethylcholesta-6,9(11)...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)C(C)C
Show InChI InChI=1S/C29H44O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,13,16-17,19-24,30H,7,10-12,14-15,18H2,1-6H3/b9-8+/t20-,21-,22+,23-,24-,26-,27-,28-,29+/m1/s1
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2.55E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against AChE from electric eel


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Histamine N-methyltransferase


(Cavia porcellus)
BDBM50016564
PNG
(CHEMBL3272448)
Show SMILES CN(C)[C@@H]1CC[C@@H](N(Cc2ccccc2)C1)c1ccccc1
Show InChI InChI=1S/C20H26N2/c1-21(2)19-13-14-20(18-11-7-4-8-12-18)22(16-19)15-17-9-5-3-6-10-17/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m1/s1
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3.16E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of histamine N-methyltransferase in guinea pig brain using S-adenosyl-L-methionine-14C as substrate by scintillation spectrophotometer


J Med Chem 19: 117-22 (1976)


Article DOI: 10.1021/jm00223a020
BindingDB Entry DOI: 10.7270/Q29W0H2G
More data for this
Ligand-Target Pair
Histamine N-methyltransferase


(Cavia porcellus)
BDBM50016547
PNG
(CHEMBL3272447)
Show SMILES CN(C)[C@H]1CC[C@@H](N(Cc2ccccc2)C1)c1ccccc1
Show InChI InChI=1S/C20H26N2/c1-21(2)19-13-14-20(18-11-7-4-8-12-18)22(16-19)15-17-9-5-3-6-10-17/h3-12,19-20H,13-16H2,1-2H3/t19-,20+/m0/s1
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2.47E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of histamine N-methyltransferase in guinea pig brain using S-adenosyl-L-methionine-14C as substrate by scintillation spectrophotometer


J Med Chem 19: 117-22 (1976)


Article DOI: 10.1021/jm00223a020
BindingDB Entry DOI: 10.7270/Q29W0H2G
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073539
PNG
(CHEMBL3408926)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O)c1ccc(O)cc1
Show InChI InChI=1S/C25H22N4O3/c1-17(19-11-13-20(30)14-12-19)27-28-24(31)16-29-23-10-6-5-9-21(23)26-22(25(29)32)15-18-7-3-2-4-8-18/h2-14,30H,15-16H2,1H3,(H,28,31)/b27-17+
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n/an/a 1.60n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073512
PNG
(CHEMBL3408911)
Show SMILES Oc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C22H18N4O2/c27-17-12-10-16(11-13-17)22(28)26-25-21-20(14-15-6-2-1-3-7-15)23-18-8-4-5-9-19(18)24-21/h1-13,27H,14H2,(H,24,25)(H,26,28)
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n/an/a 1.70n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073531
PNG
(CHEMBL3408918)
Show SMILES O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)NNC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C41H35N5O5/c47-38(25-46-37-22-12-11-21-34(37)42-36(40(46)49)24-28-15-5-2-6-16-28)44-45-39(48)35(23-27-13-3-1-4-14-27)43-41(50)51-26-33-31-19-9-7-17-29(31)30-18-8-10-20-32(30)33/h1-22,33,35H,23-26H2,(H,43,50)(H,44,47)(H,45,48)
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n/an/a 2.90n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 3.10n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase


(Bos taurus)
BDBM50073533
PNG
(CHEMBL3408920)
Show SMILES O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)N\N=C\c1ccccc1
Show InChI InChI=1S/C24H20N4O2/c29-23(27-25-16-19-11-5-2-6-12-19)17-28-22-14-8-7-13-20(22)26-21(24(28)30)15-18-9-3-1-4-10-18/h1-14,16H,15,17H2,(H,27,29)/b25-16+
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n/an/a 3.10n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073532
PNG
(CHEMBL3408919)
Show SMILES CC(C)(C)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)NNC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C45H43N5O6/c1-45(2,3)56-31-23-21-30(22-24-31)25-38(47-44(54)55-28-36-34-17-9-7-15-32(34)33-16-8-10-18-35(33)36)42(52)49-48-41(51)27-50-40-20-12-11-19-37(40)46-39(43(50)53)26-29-13-5-4-6-14-29/h4-24,36,38H,25-28H2,1-3H3,(H,47,54)(H,48,51)(H,49,52)
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n/an/a 3.40n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073534
PNG
(CHEMBL3408921)
Show SMILES Oc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H20N4O3/c29-19-12-10-18(11-13-19)15-25-27-23(30)16-28-22-9-5-4-8-20(22)26-21(24(28)31)14-17-6-2-1-3-7-17/h1-13,15,29H,14,16H2,(H,27,30)/b25-15+
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n/an/a 3.60n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073535
PNG
(CHEMBL3408922)
Show SMILES COc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C25H22N4O3/c1-32-20-13-11-19(12-14-20)16-26-28-24(30)17-29-23-10-6-5-9-21(23)27-22(25(29)31)15-18-7-3-2-4-8-18/h2-14,16H,15,17H2,1H3,(H,28,30)/b26-16+
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n/an/a 6.60n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073540
PNG
(CHEMBL3408927)
Show SMILES O=C(Cn1c2ccccc2nc(Cc2ccccc2)c1=O)N\N=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C25H19N5O3/c31-22(28-29-23-17-10-4-5-11-18(17)27-24(23)32)15-30-21-13-7-6-12-19(21)26-20(25(30)33)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,28,31)(H,27,29,32)
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n/an/a 7.30n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073536
PNG
(CHEMBL3408923)
Show SMILES Clc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H19ClN4O2/c25-19-12-10-18(11-13-19)15-26-28-23(30)16-29-22-9-5-4-8-20(22)27-21(24(29)31)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,28,30)/b26-15+
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n/an/a 8.40n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073537
PNG
(CHEMBL3408924)
Show SMILES Brc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H19BrN4O2/c25-19-12-10-18(11-13-19)15-26-28-23(30)16-29-22-9-5-4-8-20(22)27-21(24(29)31)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,28,30)/b26-15+
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n/an/a 22n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073510
PNG
(CHEMBL3408909)
Show SMILES Clc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C22H17ClN4O/c23-17-12-10-16(11-13-17)22(28)27-26-21-20(14-15-6-2-1-3-7-15)24-18-8-4-5-9-19(18)25-21/h1-13H,14H2,(H,25,26)(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073543
PNG
(CHEMBL3408930)
Show SMILES CC(C)(C)OC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
Show InChI InChI=1S/C34H39N3O5/c1-33(2,3)41-25-18-16-24(17-19-25)21-28(32(40)42-34(4,5)6)36-30(38)22-37-29-15-11-10-14-26(29)35-27(31(37)39)20-23-12-8-7-9-13-23/h7-19,28H,20-22H2,1-6H3,(H,36,38)
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n/an/a 36n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073514
PNG
(CHEMBL3408913)
Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
Show InChI InChI=1S/C25H22N4O3/c1-17-11-13-19(14-12-17)24(31)28-27-23(30)16-29-22-10-6-5-9-20(22)26-21(25(29)32)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,27,30)(H,28,31)
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n/an/a 52n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073529
PNG
(CHEMBL3408916)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
Show InChI InChI=1S/C24H19N5O5/c30-22(26-27-23(31)17-10-12-18(13-11-17)29(33)34)15-28-21-9-5-4-8-19(21)25-20(24(28)32)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,30)(H,27,31)
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n/an/a 56n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073541
PNG
(CHEMBL3408928)
Show SMILES CC(C)CC(NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H33N3O4/c1-18(2)15-22(26(33)34-27(3,4)5)29-24(31)17-30-23-14-10-9-13-20(23)28-21(25(30)32)16-19-11-7-6-8-12-19/h6-14,18,22H,15-17H2,1-5H3,(H,29,31)
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n/an/a 56n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073527
PNG
(CHEMBL3408914)
Show SMILES Clc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
Show InChI InChI=1S/C24H19ClN4O3/c25-18-12-10-17(11-13-18)23(31)28-27-22(30)15-29-21-9-5-4-8-19(21)26-20(24(29)32)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,30)(H,28,31)
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n/an/a 64n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073508
PNG
(CHEMBL3408907)
Show SMILES CC(=O)NNc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-12(22)20-21-17-16(11-13-7-3-2-4-8-13)18-14-9-5-6-10-15(14)19-17/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
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n/an/a 66n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073513
PNG
(CHEMBL3408912)
Show SMILES Brc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C22H17BrN4O/c23-17-12-10-16(11-13-17)22(28)27-26-21-20(14-15-6-2-1-3-7-15)24-18-8-4-5-9-19(18)25-21/h1-13H,14H2,(H,25,26)(H,27,28)
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n/an/a 74n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073509
PNG
(CHEMBL3408908)
Show SMILES O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N4O/c27-22(17-11-5-2-6-12-17)26-25-21-20(15-16-9-3-1-4-10-16)23-18-13-7-8-14-19(18)24-21/h1-14H,15H2,(H,24,25)(H,26,27)
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n/an/a 78n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073530
PNG
(CHEMBL3408917)
Show SMILES CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
Show InChI InChI=1S/C38H37N5O5/c1-24(2)20-32(40-38(47)48-23-30-28-16-8-6-14-26(28)27-15-7-9-17-29(27)30)36(45)42-41-35(44)22-43-34-19-11-10-18-31(34)39-33(37(43)46)21-25-12-4-3-5-13-25/h3-19,24,30,32H,20-23H2,1-2H3,(H,40,47)(H,41,44)(H,42,45)
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n/an/a 82n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073528
PNG
(CHEMBL3408915)
Show SMILES Brc1ccc(cc1)C(=O)NNC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
Show InChI InChI=1S/C24H19BrN4O3/c25-18-12-10-17(11-13-18)23(31)28-27-22(30)15-29-21-9-5-4-8-19(21)26-20(24(29)32)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,30)(H,28,31)
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n/an/a 82n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073511
PNG
(CHEMBL3408910)
Show SMILES COc1ccc(cc1)C(=O)NNc1nc2ccccc2nc1Cc1ccccc1
Show InChI InChI=1S/C23H20N4O2/c1-29-18-13-11-17(12-14-18)23(28)27-26-22-21(15-16-7-3-2-4-8-16)24-19-9-5-6-10-20(19)25-22/h2-14H,15H2,1H3,(H,25,26)(H,27,28)
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n/an/a 86n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073542
PNG
(CHEMBL3408929)
Show SMILES CC(C)(C)OC(=O)C(Cc1ccccc1)NC(=O)Cn1c2ccccc2nc(Cc2ccccc2)c1=O
Show InChI InChI=1S/C30H31N3O4/c1-30(2,3)37-29(36)25(19-22-14-8-5-9-15-22)32-27(34)20-33-26-17-11-10-16-23(26)31-24(28(33)35)18-21-12-6-4-7-13-21/h4-17,25H,18-20H2,1-3H3,(H,32,34)
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n/an/a 88n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50073538
PNG
(CHEMBL3408925)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H19N5O4/c30-23(27-25-15-18-10-12-19(13-11-18)29(32)33)16-28-22-9-5-4-8-20(22)26-21(24(28)31)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,27,30)/b25-15+
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n/an/a 98n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method


Eur J Med Chem 93: 308-20 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.020
BindingDB Entry DOI: 10.7270/Q2VH5QJ9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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 220n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA


Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM225297
PNG
(2-((8-Methyl-2-morpholino-4-oxo-4H-benzo[e][1,3]ox...)
Show SMILES Cc1c(OCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C26H25N5O7S/c1-17-21(10-9-20-24(17)38-26(29-25(20)33)31-12-14-36-15-13-31)37-16-23(32)28-18-5-7-19(8-6-18)39(34,35)30-22-4-2-3-11-27-22/h2-11H,12-16H2,1H3,(H,27,30)(H,28,32)
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n/an/a 250n/an/an/an/an/an/a



Taibah University



Assay Description
The assays of DNA-PK were performed by Reaction Biology Corporation, One Great Valley Parkway, Suite 2 Malvern, PA 19355 USA. All Compounds were diss...


Bioorg Chem 72: 234-247 (2017)


BindingDB Entry DOI: 10.7270/Q2930S2V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50001212
PNG
(CHEMBL3236732)
Show SMILES O=C1CC(Nc2ccccc2Nc2ccc(nn2)N2CCOCC2)=NN1
Show InChI InChI=1S/C17H19N7O2/c25-17-11-15(21-23-17)19-13-4-2-1-3-12(13)18-14-5-6-16(22-20-14)24-7-9-26-10-8-24/h1-6H,7-11H2,(H,18,20)(H,19,21)(H,23,25)
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n/an/a 390n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA


Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
More data for this
Ligand-Target Pair
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