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Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'maarouf' and Initial = 'ar'   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM66082
PNG
((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50590837
PNG
(CHEMBL5173449)
Show SMILES COc1ccc(cc1)-c1c(CN2CCOCC2)nc2scc(C(=O)NN)n12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035676
PNG
(CHEMBL2377772)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11N3O6S/c16-25(23,24)11-4-1-9(2-5-11)8-17-14(19)12-6-3-10(18(21)22)7-13(12)15(17)20/h1-7H,8H2,(H2,16,23,24)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50590835
PNG
(CHEMBL5204417)
Show SMILES CC(=O)NNC(=O)c1csc2ncc(-c3ccc(Br)cc3)n12
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50590838
PNG
(CHEMBL5204650)
Show SMILES NNC(=O)c1csc2nc(CN3CCOCC3)c(-c3ccc(Br)cc3)n12
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50590837
PNG
(CHEMBL5173449)
Show SMILES COc1ccc(cc1)-c1c(CN2CCOCC2)nc2scc(C(=O)NN)n12
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50590836
PNG
(CHEMBL5170804)
Show SMILES Cc1ccc(cc1)-c1c(CN2CCOCC2)nc2scc(C(=O)NN)n12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50590833
PNG
(CHEMBL5194543)
Show SMILES Cc1ccc(cc1)-c1c(CN2CCCCC2)nc2scc(C(O)=O)n12
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50590835
PNG
(CHEMBL5204417)
Show SMILES CC(=O)NNC(=O)c1csc2ncc(-c3ccc(Br)cc3)n12
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50590833
PNG
(CHEMBL5194543)
Show SMILES Cc1ccc(cc1)-c1c(CN2CCCCC2)nc2scc(C(O)=O)n12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50590834
PNG
(CHEMBL5176561)
Show SMILES CCC(=O)NNC(=O)c1csc2ncc(-c3ccc(C)cc3)n12
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50590836
PNG
(CHEMBL5170804)
Show SMILES Cc1ccc(cc1)-c1c(CN2CCOCC2)nc2scc(C(=O)NN)n12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50174201
PNG
(ARTHROTEC | GP 45840 | SOLARAZE | Sodium; [2-(2,6-...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


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

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50590835
PNG
(CHEMBL5204417)
Show SMILES CC(=O)NNC(=O)c1csc2ncc(-c3ccc(Br)cc3)n12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035677
PNG
(CHEMBL2377773)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C14H9N3O6S/c15-24(22,23)10-4-1-8(2-5-10)16-13(18)11-6-3-9(17(20)21)7-12(11)14(16)19/h1-7H,(H2,15,22,23)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50590836
PNG
(CHEMBL5170804)
Show SMILES Cc1ccc(cc1)-c1c(CN2CCOCC2)nc2scc(C(=O)NN)n12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035694
PNG
(CHEMBL2377793)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C15H10Cl2N2O4S/c16-12-5-10-11(6-13(12)17)15(21)19(14(10)20)7-8-1-3-9(4-2-8)24(18,22)23/h1-6H,7H2,(H2,18,22,23)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50590838
PNG
(CHEMBL5204650)
Show SMILES NNC(=O)c1csc2nc(CN3CCOCC3)c(-c3ccc(Br)cc3)n12
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50590834
PNG
(CHEMBL5176561)
Show SMILES CCC(=O)NNC(=O)c1csc2ncc(-c3ccc(C)cc3)n12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035671
PNG
(CHEMBL2377794)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C14H8Cl2N2O4S/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50590837
PNG
(CHEMBL5173449)
Show SMILES COc1ccc(cc1)-c1c(CN2CCOCC2)nc2scc(C(=O)NN)n12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035679
PNG
(CHEMBL2377775)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1
Show InChI InChI=1S/C13H10N4O4S/c14-22(20,21)9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2,(H2,14,20,21)
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n/an/a 800n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50590833
PNG
(CHEMBL5194543)
Show SMILES Cc1ccc(cc1)-c1c(CN2CCCCC2)nc2scc(C(O)=O)n12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035680
PNG
(CHEMBL2377776)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035697
PNG
(CHEMBL2377778)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1
Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50590838
PNG
(CHEMBL5204650)
Show SMILES NNC(=O)c1csc2nc(CN3CCOCC3)c(-c3ccc(Br)cc3)n12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035698
PNG
(CHEMBL2377779)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C18H12N2O4S/c19-25(23,24)13-9-7-12(8-10-13)20-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(20)22/h1-10H,(H2,19,23,24)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50174201
PNG
(ARTHROTEC | GP 45840 | SOLARAZE | Sodium; [2-(2,6-...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
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n/an/a 4.20E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50590834
PNG
(CHEMBL5176561)
Show SMILES CCC(=O)NNC(=O)c1csc2ncc(-c3ccc(C)cc3)n12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114661
BindingDB Entry DOI: 10.7270/Q2SF314K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035682
PNG
(CHEMBL2377786)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H12N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2,(H2,16,20,21)
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n/an/a 2.00E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM152638
PNG
(4-(1,3-Dioxoisoindolin-2-yl)benzenesulphonamide (1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H24N4S/c35-30(33-21-8-2-1-3-9-21)34-22-16-14-20(15-17-22)29(25-18-31-27-12-6-4-10-23(25)27)26-19-32-28-13-7-5-11-24(26)28/h1-19,29,31-32H,(H2,33,34,35)
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n/an/a 2.50E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035681
PNG
(CHEMBL2377787)
Show SMILES Cc1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035692
PNG
(CHEMBL2377791)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-18(2,3)11-4-9-14-15(10-11)17(22)20(16(14)21)12-5-7-13(8-6-12)25(19,23)24/h4-10H,1-3H3,(H2,19,23,24)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035689
PNG
(CHEMBL2377788)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H12N2O4S/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)10-3-5-11(6-4-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50035691
PNG
(CHEMBL2377790)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50035674
PNG
(CHEMBL2377770)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C14H6Cl4N2O4S/c15-9-7-8(10(16)12(18)11(9)17)14(22)20(13(7)21)5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50035673
PNG
(CHEMBL2377796)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1
Show InChI InChI=1S/C15H8Cl4N2O4S/c16-10-8-9(11(17)13(19)12(10)18)15(23)21(14(8)22)5-6-1-3-7(4-2-6)26(20,24)25/h1-4H,5H2,(H2,20,24,25)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50035694
PNG
(CHEMBL2377793)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C15H10Cl2N2O4S/c16-12-5-10-11(6-13(12)17)15(21)19(14(10)20)7-8-1-3-9(4-2-8)24(18,22)23/h1-6H,7H2,(H2,18,22,23)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50035692
PNG
(CHEMBL2377791)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-18(2,3)11-4-9-14-15(10-11)17(22)20(16(14)21)12-5-7-13(8-6-12)25(19,23)24/h4-10H,1-3H3,(H2,19,23,24)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50035689
PNG
(CHEMBL2377788)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H12N2O4S/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)10-3-5-11(6-4-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM45791
PNG
(4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50035682
PNG
(CHEMBL2377786)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H12N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2,(H2,16,20,21)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50035686
PNG
(CHEMBL2377782)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)CCC1=O
Show InChI InChI=1S/C11H9NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h1-4H,5-6H2,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50035675
PNG
(CHEMBL2377771)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C15H5Cl4NO4/c16-9-7-8(10(17)12(19)11(9)18)14(22)20(13(7)21)6-3-1-5(2-4-6)15(23)24/h1-4H,(H,23,24)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50035693
PNG
(CHEMBL2377792)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H17NO4/c1-19(2,3)12-6-9-14-15(10-12)17(22)20(16(14)21)13-7-4-11(5-8-13)18(23)24/h4-10H,1-3H3,(H,23,24)
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay


Bioorg Med Chem Lett 23: 2601-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.107
BindingDB Entry DOI: 10.7270/Q2SJ1PHN
More data for this
Ligand-Target Pair
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