BindingDB logo
myBDB logout

PubMed code 30928706

Compile data set for download or QSAR
Found 30 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 2


(Homo sapiens (Human))		BDBM50524154
PNG
(CHEMBL4531165)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)CCl
Show InChI InChI=1S/C12H10ClN5O3S/c13-5-11(19)17-12-8(6-14)7-16-18(12)9-1-3-10(4-2-9)22(15,20)21/h1-4,7H,5H2,(H,17,19)(H2,15,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524144
PNG
(CHEMBL4532877)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)CN1CCOCC1
Show InChI InChI=1S/C16H18N6O4S/c17-9-12-10-19-22(13-1-3-14(4-2-13)27(18,24)25)16(12)20-15(23)11-21-5-7-26-8-6-21/h1-4,10H,5-8,11H2,(H,20,23)(H2,18,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524142
PNG
(CHEMBL4443644)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)CCN1CCOCC1
Show InChI InChI=1S/C17H20N6O4S/c18-11-13-12-20-23(14-1-3-15(4-2-14)28(19,25)26)17(13)21-16(24)5-6-22-7-9-27-10-8-22/h1-4,12H,5-10H2,(H,21,24)(H2,19,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524141
PNG
(CHEMBL4569790)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1\N=C\c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN5O2S/c18-14-3-1-12(2-4-14)10-21-17-13(9-19)11-22-23(17)15-5-7-16(8-6-15)26(20,24)25/h1-8,10-11H,(H2,20,24,25)/b21-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524148
PNG
(CHEMBL4588711)
Show SMILES COc1ccc(\C=N\c2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C#N)cc1
Show InChI InChI=1S/C18H15N5O3S/c1-26-16-6-2-13(3-7-16)11-21-18-14(10-19)12-22-23(18)15-4-8-17(9-5-15)27(20,24)25/h2-9,11-12H,1H3,(H2,20,24,25)/b21-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524152
PNG
(CHEMBL4572657)
Show SMILES COc1ccc(\C=N\c2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C#N)cc1OC
Show InChI InChI=1S/C19H17N5O4S/c1-27-17-8-3-13(9-18(17)28-2)11-22-19-14(10-20)12-23-24(19)15-4-6-16(7-5-15)29(21,25)26/h3-9,11-12H,1-2H3,(H2,21,25,26)/b22-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524151
PNG
(CHEMBL4437752)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)c1ccccc1
Show InChI InChI=1S/C17H13N5O3S/c18-10-13-11-20-22(14-6-8-15(9-7-14)26(19,24)25)16(13)21-17(23)12-4-2-1-3-5-12/h1-9,11H,(H,21,23)(H2,19,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524143
PNG
(CHEMBL4562695)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)CCCl
Show InChI InChI=1S/C13H12ClN5O3S/c14-6-5-12(20)18-13-9(7-15)8-17-19(13)10-1-3-11(4-2-10)23(16,21)22/h1-4,8H,5-6H2,(H,18,20)(H2,16,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524145
PNG
(CHEMBL4465079)
Show SMILES CC(=O)Nc1c(cnn1-c1ccc(cc1)S(=O)(=O)NC(C)=O)C#N
Show InChI InChI=1S/C14H13N5O4S/c1-9(20)17-14-11(7-15)8-16-19(14)12-3-5-13(6-4-12)24(22,23)18-10(2)21/h3-6,8H,1-2H3,(H,17,20)(H,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524144
PNG
(CHEMBL4532877)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)CN1CCOCC1
Show InChI InChI=1S/C16H18N6O4S/c17-9-12-10-19-22(13-1-3-14(4-2-13)27(18,24)25)16(12)20-15(23)11-21-5-7-26-8-6-21/h1-4,10H,5-8,11H2,(H,20,23)(H2,18,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524150
PNG
(CHEMBL4567195)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrN5O2S/c18-14-3-1-12(2-4-14)10-21-17-13(9-19)11-22-23(17)15-5-7-16(8-6-15)26(20,24)25/h1-8,10-11H,(H2,20,24,25)/b21-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524151
PNG
(CHEMBL4437752)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)c1ccccc1
Show InChI InChI=1S/C17H13N5O3S/c18-10-13-11-20-22(14-6-8-15(9-7-14)26(19,24)25)16(13)21-17(23)12-4-2-1-3-5-12/h1-9,11H,(H,21,23)(H2,19,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524146
PNG
(CHEMBL4450776)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1\N=C\c1ccccc1
Show InChI InChI=1S/C17H13N5O2S/c18-10-14-12-21-22(15-6-8-16(9-7-15)25(19,23)24)17(14)20-11-13-4-2-1-3-5-13/h1-9,11-12H,(H2,19,23,24)/b20-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524154
PNG
(CHEMBL4531165)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)CCl
Show InChI InChI=1S/C12H10ClN5O3S/c13-5-11(19)17-12-8(6-14)7-16-18(12)9-1-3-10(4-2-9)22(15,20)21/h1-4,7H,5H2,(H,17,19)(H2,15,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524149
PNG
(CHEMBL4436821)
Show SMILES CC(Cl)C(=O)Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C#N
Show InChI InChI=1S/C13H12ClN5O3S/c1-8(14)13(20)18-12-9(6-15)7-17-19(12)10-2-4-11(5-3-10)23(16,21)22/h2-5,7-8H,1H3,(H,18,20)(H2,16,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 108n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524150
PNG
(CHEMBL4567195)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrN5O2S/c18-14-3-1-12(2-4-14)10-21-17-13(9-19)11-22-23(17)15-5-7-16(8-6-15)26(20,24)25/h1-8,10-11H,(H2,20,24,25)/b21-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 116n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524153
PNG
(CHEMBL4452534)
Show SMILES CC(N1CCOCC1)C(=O)Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C#N
Show InChI InChI=1S/C17H20N6O4S/c1-12(22-6-8-27-9-7-22)17(24)21-16-13(10-18)11-20-23(16)14-2-4-15(5-3-14)28(19,25)26/h2-5,11-12H,6-9H2,1H3,(H,21,24)(H2,19,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 123n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524143
PNG
(CHEMBL4562695)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)CCCl
Show InChI InChI=1S/C13H12ClN5O3S/c14-6-5-12(20)18-13-9(7-15)8-17-19(13)10-1-3-11(4-2-10)23(16,21)22/h1-4,8H,5-6H2,(H,18,20)(H2,16,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 123n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 132n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524153
PNG
(CHEMBL4452534)
Show SMILES CC(N1CCOCC1)C(=O)Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C#N
Show InChI InChI=1S/C17H20N6O4S/c1-12(22-6-8-27-9-7-22)17(24)21-16-13(10-18)11-20-23(16)14-2-4-15(5-3-14)28(19,25)26/h2-5,11-12H,6-9H2,1H3,(H,21,24)(H2,19,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 161n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524152
PNG
(CHEMBL4572657)
Show SMILES COc1ccc(\C=N\c2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C#N)cc1OC
Show InChI InChI=1S/C19H17N5O4S/c1-27-17-8-3-13(9-18(17)28-2)11-22-19-14(10-20)12-23-24(19)15-4-6-16(7-5-15)29(21,25)26/h3-9,11-12H,1-2H3,(H2,21,25,26)/b22-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 163n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524147
PNG
(CHEMBL4466770)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN5O2S/c18-14-3-1-12(2-4-14)10-21-17-13(9-19)11-22-23(17)15-5-7-16(8-6-15)26(20,24)25/h1-8,10-11H,(H2,20,24,25)/b21-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 169n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50524147
PNG
(CHEMBL4466770)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN5O2S/c18-14-3-1-12(2-4-14)10-21-17-13(9-19)11-22-23(17)15-5-7-16(8-6-15)26(20,24)25/h1-8,10-11H,(H2,20,24,25)/b21-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 1...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524146
PNG
(CHEMBL4450776)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1\N=C\c1ccccc1
Show InChI InChI=1S/C17H13N5O2S/c18-10-14-12-21-22(15-6-8-16(9-7-15)25(19,23)24)17(14)20-11-13-4-2-1-3-5-13/h1-9,11-12H,(H2,19,23,24)/b20-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 205n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524149
PNG
(CHEMBL4436821)
Show SMILES CC(Cl)C(=O)Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C#N
Show InChI InChI=1S/C13H12ClN5O3S/c1-8(14)13(20)18-12-9(6-15)7-17-19(12)10-2-4-11(5-3-10)23(16,21)22/h2-5,7-8H,1H3,(H,18,20)(H2,16,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 507n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524148
PNG
(CHEMBL4588711)
Show SMILES COc1ccc(\C=N\c2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C#N)cc1
Show InChI InChI=1S/C18H15N5O3S/c1-26-16-6-2-13(3-7-16)11-21-18-14(10-19)12-22-23(18)15-4-8-17(9-5-15)27(20,24)25/h2-9,11-12H,1H3,(H2,20,24,25)/b21-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 513n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524141
PNG
(CHEMBL4569790)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1\N=C\c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN5O2S/c18-14-3-1-12(2-4-14)10-21-17-13(9-19)11-22-23(17)15-5-7-16(8-6-15)26(20,24)25/h1-8,10-11H,(H2,20,24,25)/b21-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 677n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524142
PNG
(CHEMBL4443644)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C#N)c1NC(=O)CCN1CCOCC1
Show InChI InChI=1S/C17H20N6O4S/c18-11-13-12-20-23(14-1-3-15(4-2-14)28(19,25)26)17(13)21-16(24)5-6-22-7-9-27-10-8-22/h1-4,12H,5-10H2,(H,21,24)(H2,19,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 876n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50524145
PNG
(CHEMBL4465079)
Show SMILES CC(=O)Nc1c(cnn1-c1ccc(cc1)S(=O)(=O)NC(C)=O)C#N
Show InChI InChI=1S/C14H13N5O4S/c1-9(20)17-14-11(7-15)8-16-19(14)12-3-5-13(6-4-12)24(22,23)18-10(2)21/h3-6,8H,1-2H3,(H,17,20)(H,18,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 879n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10...

Eur J Med Chem 171: 332-342 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.052
BindingDB Entry DOI: 10.7270/Q2SJ1Q1S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%