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Compile Data Set for Download or QSAR

Found 456 hits from Beni-Suef University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50444910
PNG
(CHEMBL3099677)
Show SMILES CO[C@@H]1C[C@@H]2[C@@H](COP(O)(O)=O)[C@H]([C@H](N2C1)c1ccc2ccccc2c1)C(=O)NCc1ccccc1
Show InChI InChI=1/C27H31N2O6P/c1-34-22-14-24-23(17-35-36(31,32)33)25(27(30)28-15-18-7-3-2-4-8-18)26(29(24)16-22)21-12-11-19-9-5-6-10-20(19)13-21/h2-13,22-26H,14-17H2,1H3,(H,28,30)(H2,31,32,33)/t22-,23-,24-,25-,26-/s2
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9.00E+3n/an/an/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of Pin-1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 300 seconds followed by substrate addition by UV/Vis...


Bioorg Med Chem 22: 46-53 (2013)


Article DOI: 10.1016/j.bmc.2013.11.040
BindingDB Entry DOI: 10.7270/Q2XD134J
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50444915
PNG
(CHEMBL3099729)
Show SMILES OP(O)(=O)OCC1C2CCCN2C(C1C(=O)NCc1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1/C26H29N2O5P/c29-26(27-16-18-7-2-1-3-8-18)24-22(17-33-34(30,31)32)23-11-6-14-28(23)25(24)21-13-12-19-9-4-5-10-20(19)15-21/h1-5,7-10,12-13,15,22-25H,6,11,14,16-17H2,(H,27,29)(H2,30,31,32)
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1.50E+4n/an/an/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of Pin-1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 300 seconds followed by substrate addition by UV/Vis...


Bioorg Med Chem 22: 46-53 (2013)


Article DOI: 10.1016/j.bmc.2013.11.040
BindingDB Entry DOI: 10.7270/Q2XD134J
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50444913
PNG
(CHEMBL3099731)
Show SMILES OP(O)(=O)OCC1C2CCCN2C(C1C(=O)NCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1/C22H22F5N2O5P/c23-16-15(17(24)19(26)20(27)18(16)25)21-14(22(30)28-9-11-5-2-1-3-6-11)12(10-34-35(31,32)33)13-7-4-8-29(13)21/h1-3,5-6,12-14,21H,4,7-10H2,(H,28,30)(H2,31,32,33)
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1.60E+4n/an/an/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of Pin-1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 300 seconds followed by substrate addition by UV/Vis...


Bioorg Med Chem 22: 46-53 (2013)


Article DOI: 10.1016/j.bmc.2013.11.040
BindingDB Entry DOI: 10.7270/Q2XD134J
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50444912
PNG
(CHEMBL3099732)
Show SMILES OP(O)(=O)OCC1C2CCCN2C(C1C(=O)NCc1ccc2OCOc2c1)c1ccc2ccccc2c1
Show InChI InChI=1/C27H29N2O7P/c30-27(28-14-17-7-10-23-24(12-17)35-16-34-23)25-21(15-36-37(31,32)33)22-6-3-11-29(22)26(25)20-9-8-18-4-1-2-5-19(18)13-20/h1-2,4-5,7-10,12-13,21-22,25-26H,3,6,11,14-16H2,(H,28,30)(H2,31,32,33)
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3.20E+4n/an/an/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of Pin-1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 300 seconds followed by substrate addition by UV/Vis...


Bioorg Med Chem 22: 46-53 (2013)


Article DOI: 10.1016/j.bmc.2013.11.040
BindingDB Entry DOI: 10.7270/Q2XD134J
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50444914
PNG
(CHEMBL3099730)
Show SMILES OP(O)(=O)OCC1C2CCCN2C(C1C(=O)NCc1ccccc1)c1ccccc1
Show InChI InChI=1/C22H27N2O5P/c25-22(23-14-16-8-3-1-4-9-16)20-18(15-29-30(26,27)28)19-12-7-13-24(19)21(20)17-10-5-2-6-11-17/h1-6,8-11,18-21H,7,12-15H2,(H,23,25)(H2,26,27,28)
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4.40E+4n/an/an/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of Pin-1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 300 seconds followed by substrate addition by UV/Vis...


Bioorg Med Chem 22: 46-53 (2013)


Article DOI: 10.1016/j.bmc.2013.11.040
BindingDB Entry DOI: 10.7270/Q2XD134J
More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 60n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length GST-tagged human B-RAF V600E mutant (417 to 766 residues) expressed in Baculovirus infected Sf9 cells using N-t...


Eur J Med Chem 150: 567-578 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 80n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of His-6 tagged recombinant EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in Baculovirus infected Sf9 cells by...


Eur J Med Chem 150: 567-578 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 100n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 3093-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.004
BindingDB Entry DOI: 10.7270/Q2930W40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM221998
PNG
(4-[3-(4-Chloro-phenyl)-5-(3,4,5-trimethoxy-phenyl)...)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1/C24H24ClN3O5S/c1-31-22-12-16(13-23(32-2)24(22)33-3)21-14-20(15-4-6-17(25)7-5-15)27-28(21)18-8-10-19(11-9-18)34(26,29)30/h4-13,21H,14H2,1-3H3,(H2,26,29,30)
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n/an/a 220n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...


Bioorg Chem 70: 57-66 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.008
BindingDB Entry DOI: 10.7270/Q2WH2NVP
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50105335
PNG
(CHEMBL3597247)
Show SMILES O=c1sc2ccccc2n1CCCCCCN1CCN(CCCCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C30H40N4O2S2/c35-29-33(25-13-5-7-15-27(25)37-29)19-11-3-1-9-17-31-21-23-32(24-22-31)18-10-2-4-12-20-34-26-14-6-8-16-28(26)38-30(34)36/h5-8,13-16H,1-4,9-12,17-24H2
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n/an/a 280n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced iNOS activity incubated for 30 mins prior to LPS challenge me...


Bioorg Med Chem 23: 3248-59 (2015)


Article DOI: 10.1016/j.bmc.2015.04.057
BindingDB Entry DOI: 10.7270/Q26H4K5F
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50105353
PNG
(CHEMBL3597266)
Show SMILES O=c1sc2ccccc2n1CCCCCCN1CCN(CCCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C29H38N4O2S2/c34-28-32(24-12-4-6-14-26(24)36-28)18-10-2-1-8-16-30-20-22-31(23-21-30)17-9-3-11-19-33-25-13-5-7-15-27(25)37-29(33)35/h4-7,12-15H,1-3,8-11,16-23H2
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n/an/a 290n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced iNOS activity incubated for 30 mins prior to LPS challenge me...


Bioorg Med Chem 23: 3248-59 (2015)


Article DOI: 10.1016/j.bmc.2015.04.057
BindingDB Entry DOI: 10.7270/Q26H4K5F
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 300n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in PGF2-alpha formation using arachidonic acid as substrate by enzyme immunoassay


Eur J Med Chem 118: 250-8 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.049
BindingDB Entry DOI: 10.7270/Q2X350D9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 300n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Bioorg Med Chem Lett 26: 3093-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.004
BindingDB Entry DOI: 10.7270/Q2930W40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207432
PNG
(CHEMBL3909479)
Show SMILES COc1ccc(cc1)-c1nc(NCC(O)=O)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H18N2O4S/c1-24-14-7-3-12(4-8-14)17-18(13-5-9-15(25-2)10-6-13)26-19(21-17)20-11-16(22)23/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
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n/an/a 320n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
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 340n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50105333
PNG
(CHEMBL3597245)
Show SMILES O=c1sc2ccccc2n1CCCCCN1CCN(CCCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C28H36N4O2S2/c33-27-31(23-11-3-5-13-25(23)35-27)17-9-1-7-15-29-19-21-30(22-20-29)16-8-2-10-18-32-24-12-4-6-14-26(24)36-28(32)34/h3-6,11-14H,1-2,7-10,15-22H2
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n/an/a 410n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced iNOS activity incubated for 30 mins prior to LPS challenge me...


Bioorg Med Chem 23: 3248-59 (2015)


Article DOI: 10.1016/j.bmc.2015.04.057
BindingDB Entry DOI: 10.7270/Q26H4K5F
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50105355
PNG
(CHEMBL3597268)
Show SMILES C(CCN1CCN(CCCCSc2nc3ccccc3s2)CC1)CSc1nc2ccccc2s1
Show InChI InChI=1S/C26H32N4S4/c1-3-11-23-21(9-1)27-25(33-23)31-19-7-5-13-29-15-17-30(18-16-29)14-6-8-20-32-26-28-22-10-2-4-12-24(22)34-26/h1-4,9-12H,5-8,13-20H2
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n/an/a 410n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced iNOS activity incubated for 30 mins prior to LPS challenge me...


Bioorg Med Chem 23: 3248-59 (2015)


Article DOI: 10.1016/j.bmc.2015.04.057
BindingDB Entry DOI: 10.7270/Q26H4K5F
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM222457
PNG
((E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(3,4,5-trimethox...)
Show SMILES COc1cc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc(OC)c1OC
Show InChI InChI=1S/C25H22ClN3O6S/c1-33-21-13-15(14-22(34-2)23(21)35-3)12-20-25(30)29(18-8-10-19(11-9-18)36(27,31)32)24(28-20)16-4-6-17(26)7-5-16/h4-14H,1-3H3,(H2,27,31,32)/b20-12+
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n/an/a 420n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...


Bioorg Chem 72: 123-129 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.002
BindingDB Entry DOI: 10.7270/Q2MS3RMF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM222002
PNG
(3-(4-Bromo-phenyl)-5-(4-chloro-phenyl)-1-(4-methan...)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1/C25H25ClN2O5S/c1-31-23-13-17(14-24(32-2)25(23)33-3)22-15-21(16-5-7-18(26)8-6-16)27-28(22)19-9-11-20(12-10-19)34(4,29)30/h5-14,22H,15H2,1-4H3
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n/an/a 420n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...


Bioorg Chem 70: 57-66 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.008
BindingDB Entry DOI: 10.7270/Q2WH2NVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207431
PNG
(CHEMBL3892572)
Show SMILES OC(=O)CNc1nc(c(s1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c20-14(21)11-18-17-19-15(12-7-3-1-4-8-12)16(22-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
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n/an/a 420n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50105350
PNG
(CHEMBL3597264)
Show SMILES O=c1sc2ccccc2n1CCCCCCN1CCN(CCCCn2c3ccccc3sc2=O)CC1
Show InChI InChI=1S/C28H36N4O2S2/c33-27-31(23-11-3-5-13-25(23)35-27)17-8-2-1-7-15-29-19-21-30(22-20-29)16-9-10-18-32-24-12-4-6-14-26(24)36-28(32)34/h3-6,11-14H,1-2,7-10,15-22H2
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n/an/a 510n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced iNOS activity incubated for 30 mins prior to LPS challenge me...


Bioorg Med Chem 23: 3248-59 (2015)


Article DOI: 10.1016/j.bmc.2015.04.057
BindingDB Entry DOI: 10.7270/Q26H4K5F
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM222461
PNG
((E)-4-[2-(4-Chloro-phenyl)-4-(4-nitrobenzylidene)-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(cc2)[N+]([O-])=O)N=C1c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15ClN4O5S/c23-16-5-3-15(4-6-16)21-25-20(13-14-1-7-18(8-2-14)27(29)30)22(28)26(21)17-9-11-19(12-10-17)33(24,31)32/h1-13H,(H2,24,31,32)/b20-13+
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n/an/a 520n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...


Bioorg Chem 72: 123-129 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.002
BindingDB Entry DOI: 10.7270/Q2MS3RMF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207435
PNG
(CHEMBL3960755)
Show SMILES COc1ccc(cc1)-c1ncn(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H18N2O4/c1-24-15-7-3-13(4-8-15)18-19(21(12-20-18)11-17(22)23)14-5-9-16(25-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,22,23)
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n/an/a 540n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM222460
PNG
((E)-4-[2-(4-Chlorophenyl)-4-(3,4-dimethoxybenzylid...)
Show SMILES COc1ccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc1OC
Show InChI InChI=1S/C24H20ClN3O5S/c1-32-21-12-3-15(14-22(21)33-2)13-20-24(29)28(18-8-10-19(11-9-18)34(26,30)31)23(27-20)16-4-6-17(25)7-5-16/h3-14H,1-2H3,(H2,26,30,31)/b20-13+
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n/an/a 550n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...


Bioorg Chem 72: 123-129 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.002
BindingDB Entry DOI: 10.7270/Q2MS3RMF
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229728
PNG
(CHEMBL4062843)
Show SMILES CN(C)\C=C\C(=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C22H29N7O3/c1-27(2)8-7-19(30)17-3-5-18(6-4-17)23-20-24-21(28-9-13-31-14-10-28)26-22(25-20)29-11-15-32-16-12-29/h3-8H,9-16H2,1-2H3,(H,23,24,25,26)/b8-7+
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n/an/a 550n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
BindingDB Entry DOI: 10.7270/Q2B56N0K
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50134554
PNG
(CHEMBL3747206)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccco1
Show InChI InChI=1/C20H16F3N3O3S/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)
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n/an/a 560n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM222458
PNG
((E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(4-trifluorometh...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccc(cc2)C(F)(F)F)N=C1c1ccc(Cl)cc1
Show InChI InChI=1S/C23H15ClF3N3O3S/c24-17-7-3-15(4-8-17)21-29-20(13-14-1-5-16(6-2-14)23(25,26)27)22(31)30(21)18-9-11-19(12-10-18)34(28,32)33/h1-13H,(H2,28,32,33)/b20-13+
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n/an/a 620n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...


Bioorg Chem 72: 123-129 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.002
BindingDB Entry DOI: 10.7270/Q2MS3RMF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM222005
PNG
(3-(4-Bromo-phenyl)-1-(4-methanesulfonyl-phenyl)-5-...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Br)cc1
Show InChI InChI=1/C23H21BrN2O3S/c1-29-20-11-5-17(6-12-20)23-15-22(16-3-7-18(24)8-4-16)25-26(23)19-9-13-21(14-10-19)30(2,27)28/h3-14,23H,15H2,1-2H3
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n/an/a 630n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...


Bioorg Chem 70: 57-66 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.008
BindingDB Entry DOI: 10.7270/Q2WH2NVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM54643
PNG
(4-[3-(4-Bromo-phenyl)-5-(4-methoxy-phenyl)-4,5-dih...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1
Show InChI InChI=1/C22H20BrN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(15-2-6-17(23)7-3-15)25-26(22)18-8-12-20(13-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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n/an/a 630n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...


Bioorg Chem 70: 57-66 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.008
BindingDB Entry DOI: 10.7270/Q2WH2NVP
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50444916
PNG
(CHEMBL3099735)
Show SMILES O=C1\C(=C/c2ccncc2)C(c2ccccc2)n2cccc12
Show InChI InChI=1/C19H14N2O/c22-19-16(13-14-8-10-20-11-9-14)18(15-5-2-1-3-6-15)21-12-4-7-17(19)21/h1-13,18H/b16-13-
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n/an/a 650n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin)


Bioorg Med Chem 22: 46-53 (2013)


Article DOI: 10.1016/j.bmc.2013.11.040
BindingDB Entry DOI: 10.7270/Q2XD134J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207430
PNG
(CHEMBL3924357)
Show SMILES OC(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c20-15(21)11-19-12-18-16(13-7-3-1-4-8-13)17(19)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,21)
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n/an/a 670n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229723
PNG
(CHEMBL4089144)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1C(C)=O)c1ccc(Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1
Show InChI InChI=1/C33H42N8O4/c1-22(42)41-27(24-19-28(43-2)30(45-4)29(20-24)44-3)21-26(38-41)23-11-13-25(14-12-23)34-31-35-32(39-15-7-5-8-16-39)37-33(36-31)40-17-9-6-10-18-40/h11-14,19-20,27H,5-10,15-18,21H2,1-4H3,(H,34,35,36,37)
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n/an/a 690n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
BindingDB Entry DOI: 10.7270/Q2B56N0K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 710n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM54640
PNG
(4-[3-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-4,5-di...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1/C22H20ClN3O3S/c1-29-19-10-4-16(5-11-19)22-14-21(15-2-6-17(23)7-3-15)25-26(22)18-8-12-20(13-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)
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n/an/a 740n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...


Bioorg Chem 70: 57-66 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.008
BindingDB Entry DOI: 10.7270/Q2WH2NVP
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229716
PNG
(CHEMBL4063300)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nccc1-c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C27H30N8O4S/c1-40(36,37)23-8-6-22(7-9-23)35-24(10-11-28-35)20-2-4-21(5-3-20)29-25-30-26(33-12-16-38-17-13-33)32-27(31-25)34-14-18-39-19-15-34/h2-11H,12-19H2,1H3,(H,29,30,31,32)
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n/an/a 740n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
BindingDB Entry DOI: 10.7270/Q2B56N0K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM221997
PNG
(4-[3-(4-Bromo-phenyl)-5-(3,4,5-trimethoxy-phenyl)-...)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1
Show InChI InChI=1/C24H24BrN3O5S/c1-31-22-12-16(13-23(32-2)24(22)33-3)21-14-20(15-4-6-17(25)7-5-15)27-28(21)18-8-10-19(11-9-18)34(26,29)30/h4-13,21H,14H2,1-3H3,(H2,26,29,30)
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n/an/a 780n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...


Bioorg Chem 70: 57-66 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.008
BindingDB Entry DOI: 10.7270/Q2WH2NVP
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
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 780n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
BindingDB Entry DOI: 10.7270/Q2B56N0K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50261382
PNG
(CHEMBL4093362)
Show SMILES Cc1c(cnn1-c1ccccc1)-c1nnc(-c2ccccc2)c2conc12
Show InChI InChI=1S/C21H15N5O/c1-14-17(12-22-26(14)16-10-6-3-7-11-16)20-21-18(13-27-25-21)19(23-24-20)15-8-4-2-5-9-15/h2-13H,1H3
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n/an/a 780n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate by colorimetric enzyme immune assay


Bioorg Med Chem Lett 27: 4358-4369 (2017)

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 840n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...


Bioorg Chem 70: 57-66 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.008
BindingDB Entry DOI: 10.7270/Q2WH2NVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
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 840n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...


Bioorg Chem 72: 123-129 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.002
BindingDB Entry DOI: 10.7270/Q2MS3RMF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM222462
PNG
((E)-4-[4-(2-Chlorobenzylidene)-2-(4-chlorophenyl)-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccccc2Cl)N=C1c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl2N3O3S/c23-16-7-5-14(6-8-16)21-26-20(13-15-3-1-2-4-19(15)24)22(28)27(21)17-9-11-18(12-10-17)31(25,29)30/h1-13H,(H2,25,29,30)/b20-13+
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n/an/a 860n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...


Bioorg Chem 72: 123-129 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.002
BindingDB Entry DOI: 10.7270/Q2MS3RMF
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229724
PNG
(CHEMBL4063273)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2)cc(OC)c1OC
Show InChI InChI=1S/C29H34N6O6/c1-37-24-18-20(19-25(38-2)26(24)39-3)4-9-23(36)21-5-7-22(8-6-21)30-27-31-28(34-10-14-40-15-11-34)33-29(32-27)35-12-16-41-17-13-35/h4-9,18-19H,10-17H2,1-3H3,(H,30,31,32,33)/b9-4+
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n/an/a 870n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
BindingDB Entry DOI: 10.7270/Q2B56N0K
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
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 870n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...


Bioorg Chem 63: 13-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.002
BindingDB Entry DOI: 10.7270/Q28G8JGV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
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 870n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
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 900n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 preincubated for 2 mins prior to arachidonic acid addition by enzyme immuno assay


Bioorg Med Chem Lett 25: 5787-91 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM222000
PNG
(4-[3-(4-Chloro-phenyl)-5-(4-chloro-phenyl)-4,5-dih...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1/C21H17Cl2N3O2S/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)18-9-11-19(12-10-18)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)
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n/an/a 900n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...


Bioorg Chem 70: 57-66 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.008
BindingDB Entry DOI: 10.7270/Q2WH2NVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM222459
PNG
((E)-4-[2-(4-Chlorophenyl)-4-(2,3-dimethoxybenzylid...)
Show SMILES COc1cccc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)c1OC
Show InChI InChI=1S/C24H20ClN3O5S/c1-32-21-5-3-4-16(22(21)33-2)14-20-24(29)28(18-10-12-19(13-11-18)34(26,30)31)23(27-20)15-6-8-17(25)9-7-15/h3-14H,1-2H3,(H2,26,30,31)/b20-14+
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n/an/a 920n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...


Bioorg Chem 72: 123-129 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.002
BindingDB Entry DOI: 10.7270/Q2MS3RMF
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM173509
PNG
(3-(4-Ethoxyphenyl)-1-(4-methanesulfonylphenyl)-5-(...)
Show SMILES CCOc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1/C25H23F3N2O3S/c1-3-33-21-12-6-17(7-13-21)23-16-24(18-4-8-19(9-5-18)25(26,27)28)30(29-23)20-10-14-22(15-11-20)34(2,31)32/h4-15,24H,3,16H2,1-2H3
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n/an/a 970n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...


Bioorg Chem 63: 13-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.002
BindingDB Entry DOI: 10.7270/Q28G8JGV
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50134572
PNG
(CHEMBL3746265)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1cccs1
Show InChI InChI=1/C20H16F3N3O2S2/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)
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n/an/a 970n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM173518
PNG
(1-(4-Methanesulfonylphenyl)-3-(4-hydroxyphenyl)-5-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(O)cc1
Show InChI InChI=1S/C23H17F3N2O3S/c1-32(30,31)20-12-8-18(9-13-20)28-22(16-2-6-17(7-3-16)23(24,25)26)14-21(27-28)15-4-10-19(29)11-5-15/h2-14,29H,1H3
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n/an/a 970n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...


Bioorg Chem 63: 13-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.002
BindingDB Entry DOI: 10.7270/Q28G8JGV
More data for this
Ligand-Target Pair
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