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Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'arai' and Initial = 'j'   
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
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50182889
PNG
(CHEMBL3818849)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccc(I)cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-12-7-4-10(16(17)18)8-13(12)21-11-5-2-9(14)3-6-11/h2-8,15H,1H3
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n/an/a 470n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 560n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method


Bioorg Med Chem 23: 6807-14 (2015)


Article DOI: 10.1016/j.bmc.2015.10.007
BindingDB Entry DOI: 10.7270/Q22N543P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(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 790n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method


Bioorg Med Chem 23: 6807-14 (2015)


Article DOI: 10.1016/j.bmc.2015.10.007
BindingDB Entry DOI: 10.7270/Q22N543P
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50410534
PNG
(CHEMBL83116)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
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n/an/a 1.59E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50410534
PNG
(CHEMBL83116)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
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n/an/a 1.59E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50056999
PNG
(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
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n/an/a 1.92E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method


Bioorg Med Chem 23: 6807-14 (2015)


Article DOI: 10.1016/j.bmc.2015.10.007
BindingDB Entry DOI: 10.7270/Q22N543P
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50197882
PNG
(CHEMBL3959466)
Show SMILES Cc1c(\C=C\c2ccc(Cl)o2)occ1C(O)=O
Show InChI InChI=1S/C12H9ClO4/c1-7-9(12(14)15)6-16-10(7)4-2-8-3-5-11(13)17-8/h2-6H,1H3,(H,14,15)/b4-2+
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n/an/a 2.02E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50197882
PNG
(CHEMBL3959466)
Show SMILES Cc1c(\C=C\c2ccc(Cl)o2)occ1C(O)=O
Show InChI InChI=1S/C12H9ClO4/c1-7-9(12(14)15)6-16-10(7)4-2-8-3-5-11(13)17-8/h2-6H,1H3,(H,14,15)/b4-2+
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n/an/a 2.04E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301375
PNG
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
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n/an/a 2.19E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50301375
PNG
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50128688
PNG
(CHEMBL3628727)
Show SMILES COc1ccc(Oc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H14N2O6S/c1-21-11-4-6-12(7-5-11)22-14-9-10(16(17)18)3-8-13(14)15-23(2,19)20/h3-9,15H,1-2H3
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n/an/a 2.31E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method


Bioorg Med Chem 23: 6807-14 (2015)


Article DOI: 10.1016/j.bmc.2015.10.007
BindingDB Entry DOI: 10.7270/Q22N543P
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50197881
PNG
(CHEMBL3890392)
Show SMILES Cc1oc(\C=C\c2ccc(Cl)o2)cc1C(O)=O
Show InChI InChI=1S/C12H9ClO4/c1-7-10(12(14)15)6-9(16-7)3-2-8-4-5-11(13)17-8/h2-6H,1H3,(H,14,15)/b3-2+
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n/an/a 2.49E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50197881
PNG
(CHEMBL3890392)
Show SMILES Cc1oc(\C=C\c2ccc(Cl)o2)cc1C(O)=O
Show InChI InChI=1S/C12H9ClO4/c1-7-10(12(14)15)6-9(16-7)3-2-8-4-5-11(13)17-8/h2-6H,1H3,(H,14,15)/b3-2+
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n/an/a 2.51E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301372
PNG
((E/Z)-3-(4-nitrophenylimino)indolin-2-one | CHEMBL...)
Show SMILES [O-][N+](=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C14H9N3O3/c18-14-13(11-3-1-2-4-12(11)16-14)15-9-5-7-10(8-6-9)17(19)20/h1-8H,(H,15,16,18)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50197883
PNG
(CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...)
Show SMILES OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
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n/an/a 3.09E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50197883
PNG
(CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...)
Show SMILES OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50301374
PNG
(2,4,6-Triiodo-phenol | 2,4,6-Triiodo-phenol(TIP) |...)
Show SMILES Oc1c(I)cc(I)cc1I
Show InChI InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301380
PNG
((E/Z)-1-methyl-3-(p-tolylimino)indolin-2-one | CHE...)
Show SMILES CN1C(=O)\C(=N/c2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C16H14N2O/c1-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)18(2)16(15)19/h3-10H,1-2H3/b17-15-
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM10304
PNG
(1-methyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL6...)
Show SMILES CN1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301373
PNG
((E/Z)-1-methyl-3-(4-nitrophenylimino)indolin-2-one...)
Show SMILES CN1C(=O)\C(=N/c2ccc(cc2)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C15H11N3O3/c1-17-13-5-3-2-4-12(13)14(15(17)19)16-10-6-8-11(9-7-10)18(20)21/h2-9H,1H3/b16-14-
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50197884
PNG
(CHEMBL3969733)
Show SMILES Cc1oc(CSCc2cc(C(O)=O)c(C)o2)cc1C(O)=O
Show InChI InChI=1S/C14H14O6S/c1-7-11(13(15)16)3-9(19-7)5-21-6-10-4-12(14(17)18)8(2)20-10/h3-4H,5-6H2,1-2H3,(H,15,16)(H,17,18)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuri...


Eur J Med Chem 121: 823-840 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.074
BindingDB Entry DOI: 10.7270/Q26975JG
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301381
PNG
((E/Z)-3-(4-methoxyphenylimino)-1-methylindolin-2-o...)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)N(C)c2ccccc12
Show InChI InChI=1S/C16H14N2O2/c1-18-14-6-4-3-5-13(14)15(16(18)19)17-11-7-9-12(20-2)10-8-11/h3-10H,1-2H3/b17-15-
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n/an/a 7.70E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50189601
PNG
((E)-3-(4-methoxyphenylimino)indolin-2-one | (E/Z)-...)
Show SMILES COc1ccc(cc1)\N=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301375
PNG
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50301377
PNG
((E/Z)-1-methyl-3-(phenylimino)indolin-2-one | CHEM...)
Show SMILES CN1C(=O)\C(=N/c2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H12N2O/c1-17-13-10-6-5-9-12(13)14(15(17)18)16-11-7-3-2-4-8-11/h2-10H,1H3/b16-14-
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(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 1.18E+4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method


Bioorg Med Chem 23: 6807-14 (2015)


Article DOI: 10.1016/j.bmc.2015.10.007
BindingDB Entry DOI: 10.7270/Q22N543P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transthyretin


(Homo sapiens (Human))
BDBM50301379
PNG
((E/Z)-3-(p-tolylimino)indolin-2-one | CHEMBL571380)
Show SMILES Cc1ccc(cc1)\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301378
PNG
((E/Z)-5-iodo-3-(phenylimino)indolin-2-one | CHEMBL...)
Show SMILES Ic1ccc2NC(=O)\C(=N/c3ccccc3)c2c1
Show InChI InChI=1S/C14H9IN2O/c15-9-6-7-12-11(8-9)13(14(18)17-12)16-10-4-2-1-3-5-10/h1-8H,(H,16,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50198047
PNG
((E/Z)-3-(phenylimino)indolin-2-one | 3-(phenylimin...)
Show SMILES O=C1Nc2ccccc2\C1=N\c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9H,(H,15,16,17)
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Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM11022
PNG
(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Show SMILES O=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301376
PNG
((E/Z)-3-(4-iodophenylimino)-5-nitroindolin-2-one |...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=N/c3ccc(I)cc3)c2c1
Show InChI InChI=1S/C14H8IN3O3/c15-8-1-3-9(4-2-8)16-13-11-7-10(18(20)21)5-6-12(11)17-14(13)19/h1-7H,(H,16,17,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301389
PNG
((E/Z)-5-bromo-3-(4-iodophenylimino)indolin-2-one |...)
Show SMILES Brc1ccc2NC(=O)\C(=N/c3ccc(I)cc3)c2c1
Show InChI InChI=1S/C14H8BrIN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7H,(H,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301390
PNG
((E/Z)-5-iodo-3-(4-iodophenylimino)indolin-2-one | ...)
Show SMILES Ic1ccc(cc1)\N=C1/C(=O)Nc2ccc(I)cc12
Show InChI InChI=1S/C14H8I2N2O/c15-8-1-4-10(5-2-8)17-13-11-7-9(16)3-6-12(11)18-14(13)19/h1-7H,(H,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301388
PNG
((E/Z)-3-(4-iodophenylimino)-5-methylindolin-2-one ...)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(I)cc3)c2c1
Show InChI InChI=1S/C15H11IN2O/c1-9-2-7-13-12(8-9)14(15(19)18-13)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301387
PNG
((E/Z)-3-(4-iodophenylimino)-1-methylindolin-2-one ...)
Show SMILES CN1C(=O)\C(=N/c2ccc(I)cc2)c2ccccc12
Show InChI InChI=1S/C15H11IN2O/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-11-8-6-10(16)7-9-11/h2-9H,1H3/b17-14-
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Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301386
PNG
((E/Z)-3-(4-iodophenylimino)indolin-2-one | CHEMBL5...)
Show SMILES Ic1ccc(cc1)\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C14H9IN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18)
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Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301385
PNG
((E/Z)-3-(4-methoxyphenylimino)-5-nitroindolin-2-on...)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c1-22-11-5-2-9(3-6-11)16-14-12-8-10(18(20)21)4-7-13(12)17-15(14)19/h2-8H,1H3,(H,16,17,19)
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Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301384
PNG
((E/Z)-5-iodo-3-(4-methoxyphenylimino)indolin-2-one...)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(I)cc12
Show InChI InChI=1S/C15H11IN2O2/c1-20-11-5-3-10(4-6-11)17-14-12-8-9(16)2-7-13(12)18-15(14)19/h2-8H,1H3,(H,17,18,19)
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Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301383
PNG
((E/Z)-5-bromo-3-(4-methoxyphenylimino)indolin-2-on...)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C15H11BrN2O2/c1-20-11-5-3-10(4-6-11)17-14-12-8-9(16)2-7-13(12)18-15(14)19/h2-8H,1H3,(H,17,18,19)
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Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50301382
PNG
((E/Z)-3-(4-methoxyphenylimino)-5-methylindolin-2-o...)
Show SMILES COc1ccc(cc1)\N=C1/C(=O)Nc2ccc(C)cc12
Show InChI InChI=1S/C16H14N2O2/c1-10-3-8-14-13(9-10)15(16(19)18-14)17-11-4-6-12(20-2)7-5-11/h3-9H,1-2H3,(H,17,18,19)
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Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay


Bioorg Med Chem Lett 19: 5270-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.004
BindingDB Entry DOI: 10.7270/Q2SF2W7W
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50182989
PNG
(CHEMBL3819010)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1cccc(I)c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-12-6-5-10(16(17)18)8-13(12)21-11-4-2-3-9(14)7-11/h2-8,15H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50182990
PNG
(CHEMBL3818762)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1I)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-11-7-6-9(16(17)18)8-13(11)21-12-5-3-2-4-10(12)14/h2-8,15H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50182989
PNG
(CHEMBL3819010)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1cccc(I)c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-12-6-5-10(16(17)18)8-13(12)21-11-4-2-3-9(14)7-11/h2-8,15H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50128691
PNG
(CHEMBL3628630)
Show SMILES COc1cccc(Oc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C14H14N2O6S/c1-21-11-4-3-5-12(9-11)22-14-8-10(16(17)18)6-7-13(14)15-23(2,19)20/h3-9,15H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method


Bioorg Med Chem 23: 6807-14 (2015)


Article DOI: 10.1016/j.bmc.2015.10.007
BindingDB Entry DOI: 10.7270/Q22N543P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50128688
PNG
(CHEMBL3628727)
Show SMILES COc1ccc(Oc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H14N2O6S/c1-21-11-4-6-12(7-5-11)22-14-9-10(16(17)18)3-8-13(14)15-23(2,19)20/h3-9,15H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method


Bioorg Med Chem 23: 6807-14 (2015)


Article DOI: 10.1016/j.bmc.2015.10.007
BindingDB Entry DOI: 10.7270/Q22N543P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(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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Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method


Bioorg Med Chem 23: 6807-14 (2015)


Article DOI: 10.1016/j.bmc.2015.10.007
BindingDB Entry DOI: 10.7270/Q22N543P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50128748
PNG
(CHEMBL3628629)
Show SMILES COc1ccccc1Oc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
Show InChI InChI=1S/C14H14N2O6S/c1-21-12-5-3-4-6-13(12)22-14-9-10(16(17)18)7-8-11(14)15-23(2,19)20/h3-9,15H,1-2H3
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Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method


Bioorg Med Chem 23: 6807-14 (2015)


Article DOI: 10.1016/j.bmc.2015.10.007
BindingDB Entry DOI: 10.7270/Q22N543P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50128691
PNG
(CHEMBL3628630)
Show SMILES COc1cccc(Oc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C14H14N2O6S/c1-21-11-4-3-5-12(9-11)22-14-8-10(16(17)18)6-7-13(14)15-23(2,19)20/h3-9,15H,1-2H3
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Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method


Bioorg Med Chem 23: 6807-14 (2015)


Article DOI: 10.1016/j.bmc.2015.10.007
BindingDB Entry DOI: 10.7270/Q22N543P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50182990
PNG
(CHEMBL3818762)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1I)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-11-7-6-9(16(17)18)8-13(11)21-12-5-3-2-4-10(12)14/h2-8,15H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50182889
PNG
(CHEMBL3818849)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccc(I)cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-12-7-4-10(16(17)18)8-13(12)21-11-5-2-9(14)3-6-11/h2-8,15H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
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