BindingDB logo
myBDB logout

PubMed code 31268709

Compile data set for download or QSAR
Found 17 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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

Patents

Similars
DrugBank
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 synthesis using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50510095
PNG
(CHEMBL4465694)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C24H28O3/c1-16(2)5-12-21-20(14-9-18-7-10-19(25)11-8-18)22(13-6-17(3)4)24(27)15-23(21)26/h5-11,14-15,25-27H,12-13H2,1-4H3/b14-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50510097
PNG
(CHEMBL4553272)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1
Show InChI InChI=1S/C25H30O3/c1-17(2)6-13-22-21(15-10-19-8-11-20(28-5)12-9-19)23(14-7-18(3)4)25(27)16-24(22)26/h6-12,15-16,26-27H,13-14H2,1-5H3/b15-10+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50510095
PNG
(CHEMBL4465694)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C24H28O3/c1-16(2)5-12-21-20(14-9-18-7-10-19(25)11-8-18)22(13-6-17(3)4)24(27)15-23(21)26/h5-11,14-15,25-27H,12-13H2,1-4H3/b14-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 synthesis using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50510098
PNG
(CHEMBL4515706)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]
Show InChI InChI=1S/C25H30O4/c1-16(2)6-10-20-19(12-8-18-9-13-25(29-5)24(28)14-18)21(11-7-17(3)4)23(27)15-22(20)26/h6-9,12-15,26-28H,10-11H2,1-5H3/b12-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 synthesis using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50510098
PNG
(CHEMBL4515706)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]
Show InChI InChI=1S/C25H30O4/c1-16(2)6-10-20-19(12-8-18-9-13-25(29-5)24(28)14-18)21(11-7-17(3)4)23(27)15-22(20)26/h6-9,12-15,26-28H,10-11H2,1-5H3/b12-8+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50510097
PNG
(CHEMBL4553272)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1
Show InChI InChI=1S/C25H30O3/c1-17(2)6-13-22-21(15-10-19-8-11-20(28-5)12-9-19)23(14-7-18(3)4)25(27)16-24(22)26/h6-12,15-16,26-27H,13-14H2,1-5H3/b15-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 synthesis using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50510096
PNG
(ARAHYPIN-5)
Show SMILES CC1(C)Oc2cc(\C=C\c3ccc(O)cc3)cc(O)c2C=C1 |c:22|
Show InChI InChI=1S/C19H18O3/c1-19(2)10-9-16-17(21)11-14(12-18(16)22-19)4-3-13-5-7-15(20)8-6-13/h3-12,20-21H,1-2H3/b4-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 synthesis using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50510097
PNG
(CHEMBL4553272)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1
Show InChI InChI=1S/C25H30O3/c1-17(2)6-13-22-21(15-10-19-8-11-20(28-5)12-9-19)23(14-7-18(3)4)25(27)16-24(22)26/h6-12,15-16,26-27H,13-14H2,1-5H3/b15-10+
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 4.70E+3n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50510095
PNG
(CHEMBL4465694)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C24H28O3/c1-16(2)5-12-21-20(14-9-18-7-10-19(25)11-8-18)22(13-6-17(3)4)24(27)15-23(21)26/h5-11,14-15,25-27H,12-13H2,1-4H3/b14-9+
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 5.70E+3n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50510099
PNG
(CHEMBL4517895)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c23)cc1-[#8]
Show InChI InChI=1S/C25H30O4/c1-16(2)6-9-19-18(10-7-17-8-11-23(28-5)22(27)14-17)20-12-13-25(3,4)29-24(20)15-21(19)26/h6-8,10-11,14-15,26-27H,9,12-13H2,1-5H3/b10-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50510096
PNG
(ARAHYPIN-5)
Show SMILES CC1(C)Oc2cc(\C=C\c3ccc(O)cc3)cc(O)c2C=C1 |c:22|
Show InChI InChI=1S/C19H18O3/c1-19(2)10-9-16-17(21)11-14(12-18(16)22-19)4-3-13-5-7-15(20)8-6-13/h3-12,20-21H,1-2H3/b4-3+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.33E+4n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50510098
PNG
(CHEMBL4515706)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]
Show InChI InChI=1S/C25H30O4/c1-16(2)6-10-20-19(12-8-18-9-13-25(29-5)24(28)14-18)21(11-7-17(3)4)23(27)15-22(20)26/h6-9,12-15,26-28H,10-11H2,1-5H3/b12-8+
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 1.47E+4n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50510096
PNG
(ARAHYPIN-5)
Show SMILES CC1(C)Oc2cc(\C=C\c3ccc(O)cc3)cc(O)c2C=C1 |c:22|
Show InChI InChI=1S/C19H18O3/c1-19(2)10-9-16-17(21)11-14(12-18(16)22-19)4-3-13-5-7-15(20)8-6-13/h3-12,20-21H,1-2H3/b4-3+
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>2.00E+4n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50510099
PNG
(CHEMBL4517895)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c23)cc1-[#8]
Show InChI InChI=1S/C25H30O4/c1-16(2)6-9-19-18(10-7-17-8-11-23(28-5)22(27)14-17)20-12-13-25(3,4)29-24(20)15-21(19)26/h6-8,10-11,14-15,26-27H,9,12-13H2,1-5H3/b10-7+
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 3.55E+4n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA

J Nat Prod 82: 1839-1848 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00081
BindingDB Entry DOI: 10.7270/Q2V40ZJH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%