BindingDB logo
myBDB logout

PubMed code 25444084

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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 (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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035943
PNG
(CHEMBL3338731)
Show SMILES COc1ccc(cc1)-c1nn(cc1C1SC(NC(C)=O)=NN1C(C)=O)-c1ccccc1
Show InChI InChI=1S/C22H21N5O3S/c1-14(28)23-22-25-27(15(2)29)21(31-22)19-13-26(17-7-5-4-6-8-17)24-20(19)16-9-11-18(30-3)12-10-16/h4-13,21H,1-3H3,(H,23,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035975
PNG
(CHEMBL3338729)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C21H18ClN5O2S/c1-13(28)23-21-25-27(14(2)29)20(30-21)18-12-26(17-6-4-3-5-7-17)24-19(18)15-8-10-16(22)11-9-15/h3-12,20H,1-2H3,(H,23,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.33E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035950
PNG
(CHEMBL3338719)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/NC(N)=S)-c1ccccc1
Show InChI InChI=1S/C18H17N5OS/c1-24-16-9-7-13(8-10-16)17-14(11-20-21-18(19)25)12-23(22-17)15-5-3-2-4-6-15/h2-12H,1H3,(H3,19,21,25)/b20-11-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035966
PNG
(CHEMBL3338730)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C21H18BrN5O2S/c1-13(28)23-21-25-27(14(2)29)20(30-21)18-12-26(17-6-4-3-5-7-17)24-19(18)15-8-10-16(22)11-9-15/h3-12,20H,1-2H3,(H,23,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035937
PNG
(CHEMBL3338734)
Show SMILES COc1ccc(cc1)-c1nn(cc1C1SC(=NN1C(C)=O)N(C(C)=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H25N5O3S/c1-19(34)32(23-12-8-5-9-13-23)28-30-33(20(2)35)27(37-28)25-18-31(22-10-6-4-7-11-22)29-26(25)21-14-16-24(36-3)17-15-21/h4-18,27H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.33E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035941
PNG
(CHEMBL3338732)
Show SMILES CC(=O)N(C1=NN(C(S1)c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C27H22ClN5O2S/c1-18(34)32(23-11-7-4-8-12-23)27-30-33(19(2)35)26(36-27)24-17-31(22-9-5-3-6-10-22)29-25(24)20-13-15-21(28)16-14-20/h3-17,26H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.33E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035979
PNG
(CHEMBL3338717)
Show SMILES NC(=S)N\N=C/c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C17H14ClN5S/c18-14-8-6-12(7-9-14)16-13(10-20-21-17(19)24)11-23(22-16)15-4-2-1-3-5-15/h1-11H,(H3,19,21,24)/b20-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.33E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035971
PNG
(CHEMBL3338718)
Show SMILES NC(=S)N\N=C/c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C17H14BrN5S/c18-14-8-6-12(7-9-14)16-13(10-20-21-17(19)24)11-23(22-16)15-4-2-1-3-5-15/h1-11H,(H3,19,21,24)/b20-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.33E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035939
PNG
(CHEMBL3338733)
Show SMILES CC(=O)N(C1=NN(C(S1)c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C27H22BrN5O2S/c1-18(34)32(23-11-7-4-8-12-23)27-30-33(19(2)35)26(36-27)24-17-31(22-9-5-3-6-10-22)29-25(24)20-13-15-21(28)16-14-20/h3-17,26H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035938
PNG
(CHEMBL3338722)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H21N5OS/c1-30-22-14-12-18(13-15-22)23-19(17-29(28-23)21-10-6-3-7-11-21)16-25-27-24(31)26-20-8-4-2-5-9-20/h2-17H,1H3,(H2,26,27,31)/b25-16-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.33E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035942
PNG
(CHEMBL3338720)
Show SMILES Clc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H18ClN5S/c24-19-13-11-17(12-14-19)22-18(16-29(28-22)21-9-5-2-6-10-21)15-25-27-23(30)26-20-7-3-1-4-8-20/h1-16H,(H2,26,27,30)/b25-15-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.33E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035992
PNG
(CHEMBL3338725)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/NC1=NC(=O)CS1)-c1ccccc1
Show InChI InChI=1S/C20H17N5O2S/c1-27-17-9-7-14(8-10-17)19-15(11-21-23-20-22-18(26)13-28-20)12-25(24-19)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,22,23,26)/b21-11-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035936
PNG
(CHEMBL3338723)
Show SMILES Clc1ccc(cc1)-c1nn(cc1\C=N/NC1=NC(=O)CS1)-c1ccccc1
Show InChI InChI=1S/C19H14ClN5OS/c20-15-8-6-13(7-9-15)18-14(10-21-23-19-22-17(26)12-27-19)11-25(24-18)16-4-2-1-3-5-16/h1-11H,12H2,(H,22,23,26)/b21-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.07E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035940
PNG
(CHEMBL3338721)
Show SMILES Brc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H18BrN5S/c24-19-13-11-17(12-14-19)22-18(16-29(28-22)21-9-5-2-6-10-21)15-25-27-23(30)26-20-7-3-1-4-8-20/h1-16H,(H2,26,27,30)/b25-15-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.17E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035935
PNG
(CHEMBL3338724)
Show SMILES Brc1ccc(cc1)-c1nn(cc1\C=N/NC1=NC(=O)CS1)-c1ccccc1
Show InChI InChI=1S/C19H14BrN5OS/c20-15-8-6-13(7-9-15)18-14(10-21-23-19-22-17(26)12-27-19)11-25(24-18)16-4-2-1-3-5-16/h1-11H,12H2,(H,22,23,26)/b21-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035988
PNG
(CHEMBL3338728)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/N=C1/SCC(=O)N1c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H21N5O2S/c1-33-23-14-12-19(13-15-23)25-20(17-30(29-25)21-8-4-2-5-9-21)16-27-28-26-31(24(32)18-34-26)22-10-6-3-7-11-22/h2-17H,18H2,1H3/b27-16-,28-26+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035990
PNG
(CHEMBL3338726)
Show SMILES Clc1ccc(cc1)-c1nn(cc1\C=N/N=C1/SCC(=O)N1c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H18ClN5OS/c26-20-13-11-18(12-14-20)24-19(16-30(29-24)21-7-3-1-4-8-21)15-27-28-25-31(23(32)17-33-25)22-9-5-2-6-10-22/h1-16H,17H2/b27-15-,28-25+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50035934
PNG
(CHEMBL3338727)
Show SMILES Brc1ccc(cc1)-c1nn(cc1\C=N/N=C1/SCC(=O)N1c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H18BrN5OS/c26-20-13-11-18(12-14-20)24-19(16-30(29-24)21-7-3-1-4-8-21)15-27-28-25-31(23(32)17-33-25)22-9-5-2-6-10-22/h1-16H,17H2/b27-15-,28-25+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.75E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035938
PNG
(CHEMBL3338722)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H21N5OS/c1-30-22-14-12-18(13-15-22)23-19(17-29(28-23)21-10-6-3-7-11-21)16-25-27-24(31)26-20-8-4-2-5-9-20/h2-17H,1H3,(H2,26,27,31)/b25-16-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.23E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035979
PNG
(CHEMBL3338717)
Show SMILES NC(=S)N\N=C/c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C17H14ClN5S/c18-14-8-6-12(7-9-14)16-13(10-20-21-17(19)24)11-23(22-16)15-4-2-1-3-5-15/h1-11H,(H3,19,21,24)/b20-10-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.63E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035971
PNG
(CHEMBL3338718)
Show SMILES NC(=S)N\N=C/c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C17H14BrN5S/c18-14-8-6-12(7-9-14)16-13(10-20-21-17(19)24)11-23(22-16)15-4-2-1-3-5-15/h1-11H,(H3,19,21,24)/b20-10-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.03E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035934
PNG
(CHEMBL3338727)
Show SMILES Brc1ccc(cc1)-c1nn(cc1\C=N/N=C1/SCC(=O)N1c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H18BrN5OS/c26-20-13-11-18(12-14-20)24-19(16-30(29-24)21-7-3-1-4-8-21)15-27-28-25-31(23(32)17-33-25)22-9-5-2-6-10-22/h1-16H,17H2/b27-15-,28-25+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.05E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035936
PNG
(CHEMBL3338723)
Show SMILES Clc1ccc(cc1)-c1nn(cc1\C=N/NC1=NC(=O)CS1)-c1ccccc1
Show InChI InChI=1S/C19H14ClN5OS/c20-15-8-6-13(7-9-15)18-14(10-21-23-19-22-17(26)12-27-19)11-25(24-18)16-4-2-1-3-5-16/h1-11H,12H2,(H,22,23,26)/b21-10-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.07E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035988
PNG
(CHEMBL3338728)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/N=C1/SCC(=O)N1c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H21N5O2S/c1-33-23-14-12-19(13-15-23)25-20(17-30(29-25)21-8-4-2-5-9-21)16-27-28-26-31(24(32)18-34-26)22-10-6-3-7-11-22/h2-17H,18H2,1H3/b27-16-,28-26+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.23E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035950
PNG
(CHEMBL3338719)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/NC(N)=S)-c1ccccc1
Show InChI InChI=1S/C18H17N5OS/c1-24-16-9-7-13(8-10-16)17-14(11-20-21-18(19)25)12-23(22-17)15-5-3-2-4-6-15/h2-12H,1H3,(H3,19,21,25)/b20-11-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.23E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035990
PNG
(CHEMBL3338726)
Show SMILES Clc1ccc(cc1)-c1nn(cc1\C=N/N=C1/SCC(=O)N1c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H18ClN5OS/c26-20-13-11-18(12-14-20)24-19(16-30(29-24)21-7-3-1-4-8-21)15-27-28-25-31(23(32)17-33-25)22-9-5-2-6-10-22/h1-16H,17H2/b27-15-,28-25+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.23E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035942
PNG
(CHEMBL3338720)
Show SMILES Clc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H18ClN5S/c24-19-13-11-17(12-14-19)22-18(16-29(28-22)21-9-5-2-6-10-21)15-25-27-23(30)26-20-7-3-1-4-8-20/h1-16H,(H2,26,27,30)/b25-15-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.45E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035966
PNG
(CHEMBL3338730)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C21H18BrN5O2S/c1-13(28)23-21-25-27(14(2)29)20(30-21)18-12-26(17-6-4-3-5-7-17)24-19(18)15-8-10-16(22)11-9-15/h3-12,20H,1-2H3,(H,23,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.47E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035937
PNG
(CHEMBL3338734)
Show SMILES COc1ccc(cc1)-c1nn(cc1C1SC(=NN1C(C)=O)N(C(C)=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H25N5O3S/c1-19(34)32(23-12-8-5-9-13-23)28-30-33(20(2)35)27(37-28)25-18-31(22-10-6-4-7-11-22)29-26(25)21-14-16-24(36-3)17-15-21/h4-18,27H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.47E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035940
PNG
(CHEMBL3338721)
Show SMILES Brc1ccc(cc1)-c1nn(cc1\C=N/NC(=S)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H18BrN5S/c24-19-13-11-17(12-14-19)22-18(16-29(28-22)21-9-5-2-6-10-21)15-25-27-23(30)26-20-7-3-1-4-8-20/h1-16H,(H2,26,27,30)/b25-15-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.57E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035935
PNG
(CHEMBL3338724)
Show SMILES Brc1ccc(cc1)-c1nn(cc1\C=N/NC1=NC(=O)CS1)-c1ccccc1
Show InChI InChI=1S/C19H14BrN5OS/c20-15-8-6-13(7-9-15)18-14(10-21-23-19-22-17(26)12-27-19)11-25(24-18)16-4-2-1-3-5-16/h1-11H,12H2,(H,22,23,26)/b21-10-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.63E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035941
PNG
(CHEMBL3338732)
Show SMILES CC(=O)N(C1=NN(C(S1)c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C27H22ClN5O2S/c1-18(34)32(23-11-7-4-8-12-23)27-30-33(19(2)35)26(36-27)24-17-31(22-9-5-3-6-10-22)29-25(24)20-13-15-21(28)16-14-20/h3-17,26H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.03E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035975
PNG
(CHEMBL3338729)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C21H18ClN5O2S/c1-13(28)23-21-25-27(14(2)29)20(30-21)18-12-26(17-6-4-3-5-7-17)24-19(18)15-8-10-16(22)11-9-15/h3-12,20H,1-2H3,(H,23,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.03E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035992
PNG
(CHEMBL3338725)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/NC1=NC(=O)CS1)-c1ccccc1
Show InChI InChI=1S/C20H17N5O2S/c1-27-17-9-7-14(8-10-17)19-15(11-21-23-20-22-18(26)13-28-20)12-25(24-19)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,22,23,26)/b21-11-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.13E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035939
PNG
(CHEMBL3338733)
Show SMILES CC(=O)N(C1=NN(C(S1)c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C27H22BrN5O2S/c1-18(34)32(23-11-7-4-8-12-23)27-30-33(19(2)35)26(36-27)24-17-31(22-9-5-3-6-10-22)29-25(24)20-13-15-21(28)16-14-20/h3-17,26H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.27E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50035943
PNG
(CHEMBL3338731)
Show SMILES COc1ccc(cc1)-c1nn(cc1C1SC(NC(C)=O)=NN1C(C)=O)-c1ccccc1
Show InChI InChI=1S/C22H21N5O3S/c1-14(28)23-22-25-27(15(2)29)21(31-22)19-13-26(17-7-5-4-6-8-17)24-20(19)16-9-11-18(30-3)12-10-16/h4-13,21H,1-3H3,(H,23,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.03E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%