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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'alam' and Initial = 'mm'   
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
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 3.70n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase


(Bos taurus)
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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n/an/a 13n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 24: 3447-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.076
BindingDB Entry DOI: 10.7270/Q2V69M60
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase


(Bos taurus)
BDBM50065305
PNG
(3-[1-(4-Bromo-phenyl)-meth-(Z)-ylidene]-1,3-dihydr...)
Show SMILES Brc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-
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n/an/a 18n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50130935
PNG
(CHEMBL3633200)
Show SMILES Brc1cccc(\C=C2/C(=O)Nc3ccccc23)c1
Show InChI InChI=1S/C15H10BrNO/c16-11-5-3-4-10(8-11)9-13-12-6-1-2-7-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-
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n/an/a 27n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50130934
PNG
(CHEMBL3633198)
Show SMILES Clc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10ClNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-
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n/an/a 30n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50130936
PNG
(CHEMBL3633204)
Show SMILES Brc1ccc(\C=C2/C(=O)Nc3ccccc23)s1
Show InChI InChI=1S/C13H8BrNOS/c14-12-6-5-8(17-12)7-10-9-3-1-2-4-11(9)15-13(10)16/h1-7H,(H,15,16)/b10-7-
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n/an/a 35n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
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 70n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50095203
PNG
(CHEMBL94751 | [(S)-6-(3-Benzhydryl-6-oxo-6H-pyrida...)
Show SMILES OC(=O)COc1cccc2C[C@@H](Cn3nc(ccc3=O)C(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C30H28N2O4/c33-28-17-16-26(30(22-8-3-1-4-9-22)23-10-5-2-6-11-23)31-32(28)19-21-14-15-25-24(18-21)12-7-13-27(25)36-20-29(34)35/h1-13,16-17,21,30H,14-15,18-20H2,(H,34,35)/t21-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Agonist activity at PGI2 in human platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation


Eur J Med Chem 123: 256-281 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.061
BindingDB Entry DOI: 10.7270/Q2Q81G2Z
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 90n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50022502
PNG
(CHEMBL3299132)
Show SMILES Clc1ccc2occ(CC3SC(=O)NC3=O)c(=O)c2c1
Show InChI InChI=1S/C13H8ClNO4S/c14-7-1-2-9-8(4-7)11(16)6(5-19-9)3-10-12(17)15-13(18)20-10/h1-2,4-5,10H,3H2,(H,15,17,18)
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n/an/a 135n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Bioorg Med Chem Lett 24: 3034-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.034
BindingDB Entry DOI: 10.7270/Q24B32WX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235663
PNG
(3-[5-(2,4-Dichloro-phenyl)-[1,3,4]oxadiazol-2-yl]-...)
Show SMILES Clc1ccc(-c2nnc(o2)-c2cc3ccccc3oc2=O)c(Cl)c1
Show InChI InChI=1S/C17H8Cl2N2O3/c18-10-5-6-11(13(19)8-10)15-20-21-16(24-15)12-7-9-3-1-2-4-14(9)23-17(12)22/h1-8H
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n/an/a 400n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50046172
PNG
(CHEMBL3310986)
Show SMILES Cn1c2ccccc2c(O)c(c1=O)C(C)(NN)Nc1ccccc1
Show InChI InChI=1S/C18H20N4O2/c1-18(21-19,20-12-8-4-3-5-9-12)15-16(23)13-10-6-7-11-14(13)22(2)17(15)24/h3-11,20-21,23H,19H2,1-2H3
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n/an/a 730n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 24: 3447-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.076
BindingDB Entry DOI: 10.7270/Q2V69M60
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235662
PNG
(3-(5-p-Tolyl-[1,3,4]oxadiazol-2-yl)-chromen-2-one ...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H12N2O3/c1-11-6-8-12(9-7-11)16-19-20-17(23-16)14-10-13-4-2-3-5-15(13)22-18(14)21/h2-10H,1H3
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n/an/a 1.18E+3n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235661
PNG
(3-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-chro...)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H9ClN2O3/c18-12-7-5-10(6-8-12)15-19-20-16(23-15)13-9-11-3-1-2-4-14(11)22-17(13)21/h1-9H
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n/an/a 1.20E+3n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50297560
PNG
(3-[5-(3,4-Dimethoxy phenyl)-1,3,4-oxadiazol-2-yl]-...)
Show SMILES COc1ccc(cc1OC)-c1nnc(CCC(=O)c2ccc(cc2)-c2ccccc2)o1
Show InChI InChI=1S/C25H22N2O4/c1-29-22-14-12-20(16-23(22)30-2)25-27-26-24(31-25)15-13-21(28)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-12,14,16H,13,15H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM233052
PNG
(3-(2,6-Dichlorobenzylidene)-5-(4-isobutylphenyl)-2...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2c(Cl)cccc2Cl)C(=O)O1
Show InChI InChI=1S/C21H18Cl2O2/c1-13(2)10-14-6-8-15(9-7-14)20-12-16(21(24)25-20)11-17-18(22)4-3-5-19(17)23/h3-9,11-13H,10H2,1-2H3/b16-11+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50297559
PNG
(3-[5-(4-Methoxyophenyl)-1,3,4-oxadiazol-2-yl]-1-(b...)
Show SMILES COc1ccc(cc1)-c1nnc(CCC(=O)c2ccc(cc2)-c2ccccc2)o1
Show InChI InChI=1S/C24H20N2O3/c1-28-21-13-11-20(12-14-21)24-26-25-23(29-24)16-15-22(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50431639
PNG
(CHEMBL2349075)
Show SMILES CCCCCCCCCCCCCCCC[C@]1(CCC[C@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
Show InChI InChI=1S/C29H58NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29(28(31)34-7-2)24-21-22-27(29)36-37(32,33)35-26-25-30(3,4)5/h27H,6-26H2,1-5H3/t27-,29-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM233053
PNG
(3-(2,4-Dichlorobenzylidene)-5-(4-isobutylphenyl)-2...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2ccc(Cl)cc2Cl)C(=O)O1
Show InChI InChI=1S/C21H18Cl2O2/c1-13(2)9-14-3-5-15(6-4-14)20-11-17(21(24)25-20)10-16-7-8-18(22)12-19(16)23/h3-8,10-13H,9H2,1-2H3/b17-10+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM233050
PNG
(3-(2-Chlorobenzylidene)-5-(4-isobutylphenyl)-2(3H)...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2ccccc2Cl)C(=O)O1
Show InChI InChI=1S/C21H19ClO2/c1-14(2)11-15-7-9-16(10-8-15)20-13-18(21(23)24-20)12-17-5-3-4-6-19(17)22/h3-10,12-14H,11H2,1-2H3/b18-12+
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n/an/a 2.40E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50297561
PNG
(3-[(5-(2-Naphthoxymethyl)-1,3,4-oxadiazol-2-yl)-1-...)
Show SMILES O=C(CCc1nnc(COc2ccc3ccccc3c2)o1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H22N2O3/c31-26(23-12-10-22(11-13-23)20-6-2-1-3-7-20)16-17-27-29-30-28(33-27)19-32-25-15-14-21-8-4-5-9-24(21)18-25/h1-15,18H,16-17,19H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50046173
PNG
(CHEMBL3310987)
Show SMILES CCn1c2ccccc2c(O)c(c1=O)C(C)(NN)Nc1ccc(C)cc1
Show InChI InChI=1S/C20H24N4O2/c1-4-24-16-8-6-5-7-15(16)18(25)17(19(24)26)20(3,23-21)22-14-11-9-13(2)10-12-14/h5-12,22-23,25H,4,21H2,1-3H3
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n/an/a 2.95E+3n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 24: 3447-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.076
BindingDB Entry DOI: 10.7270/Q2V69M60
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50431633
PNG
(CHEMBL2349081)
Show SMILES CCCCCCCCCCCCCCCCCC[C@]1(CCC[C@@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
Show InChI InChI=1S/C31H62NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31(30(33)36-7-2)26-23-24-29(31)38-39(34,35)37-28-27-32(3,4)5/h29H,6-28H2,1-5H3/t29-,31+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50431640
PNG
(CHEMBL2349074)
Show SMILES CCCCCCCCCCCCC[C@]1(CCC[C@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
Show InChI InChI=1S/C26H52NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-20-26(25(28)31-7-2)21-18-19-24(26)33-34(29,30)32-23-22-27(3,4)5/h24H,6-23H2,1-5H3/t24-,26-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50011796
PNG
(1-octadecyl-2-methoxy-rac-glycero-3-phosphocholine...)
Show SMILES CCCCCCCCCCCCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC
Show InChI InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM233051
PNG
(3-(4-Fluorobenzylidene)-5-(4-isobutylphenyl)-2(3H)...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2ccc(F)cc2)C(=O)O1
Show InChI InChI=1S/C21H19FO2/c1-14(2)11-15-3-7-17(8-4-15)20-13-18(21(23)24-20)12-16-5-9-19(22)10-6-16/h3-10,12-14H,11H2,1-2H3/b18-12+
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n/an/a 3.80E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50240374
PNG
(3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...)
Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50431634
PNG
(CHEMBL2349080)
Show SMILES CCCCCCCCCCCCCCCC[C@]1(CCC[C@@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
Show InChI InChI=1S/C29H58NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29(28(31)34-7-2)24-21-22-27(29)36-37(32,33)35-26-25-30(3,4)5/h27H,6-26H2,1-5H3/t27-,29+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50431630
PNG
(KRX-0401 | PERIFOSINE)
Show SMILES CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1
Show InChI InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50431636
PNG
(CHEMBL2349078)
Show SMILES CCCCCCCCCCCCCCCCCCCCCC[C@]1(CCC[C@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
Show InChI InChI=1S/C35H70NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-35(34(37)40-7-2)30-27-28-33(35)42-43(38,39)41-32-31-36(3,4)5/h33H,6-32H2,1-5H3/t33-,35-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50431635
PNG
(CHEMBL2349079)
Show SMILES CCCCCCCCCCCCC[C@]1(CCC[C@@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
Show InChI InChI=1S/C26H52NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-20-26(25(28)31-7-2)21-18-19-24(26)33-34(29,30)32-23-22-27(3,4)5/h24H,6-23H2,1-5H3/t24-,26+/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50431632
PNG
(CHEMBL2349082)
Show SMILES CCCCCCCCCCCCCCCCCCCC[C@]1(CCC[C@@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
Show InChI InChI=1S/C33H66NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-33(32(35)38-7-2)28-25-26-31(33)40-41(36,37)39-30-29-34(3,4)5/h31H,6-30H2,1-5H3/t31-,33+/m0/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50431637
PNG
(CHEMBL2349077)
Show SMILES CCCCCCCCCCCCCCCCCCCC[C@]1(CCC[C@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
Show InChI InChI=1S/C33H66NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-33(32(35)38-7-2)28-25-26-31(33)40-41(36,37)39-30-29-34(3,4)5/h31H,6-30H2,1-5H3/t31-,33-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50240374
PNG
(3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...)
Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50297558
PNG
(3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]-1-(biph...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(CCC(=O)c2ccc(cc2)-c2ccccc2)o1
Show InChI InChI=1S/C23H17N3O4/c27-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)14-15-22-24-25-23(30-22)19-10-12-20(13-11-19)26(28)29/h1-13H,14-15H2
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n/an/a 8.20E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235660
PNG
(3-(5-Phenyl-[1,3,4]oxadiazol-2-yl)-chromen-2-one (...)
Show SMILES O=c1oc2ccccc2cc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C17H10N2O3/c20-17-13(10-12-8-4-5-9-14(12)21-17)16-19-18-15(22-16)11-6-2-1-3-7-11/h1-10H
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n/an/a 8.70E+3n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50034220
PNG
(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50431638
PNG
(CHEMBL2349076)
Show SMILES CCCCCCCCCCCCCCCCCC[C@]1(CCC[C@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
Show InChI InChI=1S/C31H62NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31(30(33)36-7-2)26-23-24-29(31)38-39(34,35)37-28-27-32(3,4)5/h29H,6-28H2,1-5H3/t29-,31-/m1/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50191201
PNG
(CHEMBL3978955)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(O)cc1)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C21H19N5O3S/c1-13(27)22-21-24-26(14(2)28)20(30-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(29)11-9-15/h3-12,20,29H,1-2H3,(H,22,24,27)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay


Eur J Med Chem 120: 170-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.077
BindingDB Entry DOI: 10.7270/Q2M32XQK
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50431631
PNG
(CHEMBL2349083)
Show SMILES CCCCCCCCCCCCCCCCCCCCCC[C@]1(CCC[C@@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
Show InChI InChI=1S/C35H70NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-35(34(37)40-7-2)30-27-28-33(35)42-43(38,39)41-32-31-36(3,4)5/h33H,6-32H2,1-5H3/t33-,35+/m0/s1
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n/an/a 1.91E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...


Bioorg Med Chem 21: 2018-24 (2013)


Article DOI: 10.1016/j.bmc.2013.01.010
BindingDB Entry DOI: 10.7270/Q2NG4S1T
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50191273
PNG
(CHEMBL3908604)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C21H18N6O4S/c1-13(28)22-21-24-26(14(2)29)20(32-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(11-9-15)27(30)31/h3-12,20H,1-2H3,(H,22,24,28)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay


Eur J Med Chem 120: 170-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.077
BindingDB Entry DOI: 10.7270/Q2M32XQK
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50028529
PNG
(CHEMBL3355597)
Show SMILES Clc1cccc(Cl)c1COc1nnc(COc2ccccc2\C=C2\SC(=O)NC2=O)o1
Show InChI InChI=1S/C20H13Cl2N3O5S/c21-13-5-3-6-14(22)12(13)9-29-20-25-24-17(30-20)10-28-15-7-2-1-4-11(15)8-16-18(26)23-19(27)31-16/h1-8H,9-10H2,(H,23,26,27)/b16-8+
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n/an/a 2.90E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 87: 175-85 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.010
BindingDB Entry DOI: 10.7270/Q2T72K08
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 3.05E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(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 3.31E+4n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50046174
PNG
(CHEMBL3310988)
Show SMILES Cc1ccc(=N)n(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C13H13FN2/c1-10-5-6-13(15)16(8-10)9-11-3-2-4-12(14)7-11/h2-8,15H,9H2,1H3
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n/an/a 3.47E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 24: 3447-51 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.076
BindingDB Entry DOI: 10.7270/Q2V69M60
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235661
PNG
(3-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-chro...)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H9ClN2O3/c18-12-7-5-10(6-8-12)15-19-20-16(23-15)13-9-11-3-1-2-4-14(11)22-17(13)21/h1-9H
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n/an/a 3.50E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235665
PNG
(3-(5-o-Tolylamino-[1,3,4]oxadiazol-2-yl)-chromen-2...)
Show SMILES Cc1ccccc1Nc1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H13N3O3/c1-11-6-2-4-8-14(11)19-18-21-20-16(24-18)13-10-12-7-3-5-9-15(12)23-17(13)22/h2-10H,1H3,(H,19,21)
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n/an/a 3.66E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50028526
PNG
(CHEMBL3338895)
Show SMILES O=C1NC(=O)\C(S1)=C/c1ccccc1OCc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C19H13N3O4S/c23-17-15(27-19(24)20-17)10-13-8-4-5-9-14(13)25-11-16-21-22-18(26-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,23,24)/b15-10+
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n/an/a 4.10E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 87: 175-85 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.010
BindingDB Entry DOI: 10.7270/Q2T72K08
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235663
PNG
(3-[5-(2,4-Dichloro-phenyl)-[1,3,4]oxadiazol-2-yl]-...)
Show SMILES Clc1ccc(-c2nnc(o2)-c2cc3ccccc3oc2=O)c(Cl)c1
Show InChI InChI=1S/C17H8Cl2N2O3/c18-10-5-6-11(13(19)8-10)15-20-21-16(24-15)12-7-9-3-1-2-4-14(9)23-17(12)22/h1-8H
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n/an/a 4.16E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
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