new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'garscha' and Initial = 'u'   
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 E synthase


(Homo sapiens (Human))
BDBM50302429
PNG
(2-(9-(2-hydroxy-2-methylpropyl)-6-(isopentyloxy)-1...)
Show SMILES CC(C)CCOc1ccc2c3[nH]c(nc3c3ccc(CC(C)(C)O)cc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C32H30N4O2/c1-19(2)12-13-38-23-9-11-25-27(15-23)26-14-20(16-32(3,4)37)8-10-24(26)29-30(25)36-31(35-29)28-21(17-33)6-5-7-22(28)18-34/h5-11,14-15,19,37H,12-13,16H2,1-4H3,(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.400n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50109832
PNG
(CHEMBL1289402)
Show SMILES Fc1cccc(Cl)c1-c1nc(c(Br)[nH]1)-c1ccc(nc1)C#Cc1ccccc1
Show InChI InChI=1S/C22H12BrClFN3/c23-21-20(27-22(28-21)19-17(24)7-4-8-18(19)25)15-10-12-16(26-13-15)11-9-14-5-2-1-3-6-14/h1-8,10,12-13H,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50302421
PNG
(2-(6-(2-cyclopropylethoxy)-9-(2-hydroxy-2-methylpr...)
Show SMILES CC(C)(O)Cc1ccc2c3nc([nH]c3c3ccc(OCCC4CC4)cc3c2c1)-c1c(cc(F)cc1C#N)C#N
Show InChI InChI=1S/C32H27FN4O2/c1-32(2,38)15-19-5-7-24-26(11-19)27-14-23(39-10-9-18-3-4-18)6-8-25(27)30-29(24)36-31(37-30)28-20(16-34)12-22(33)13-21(28)17-35/h5-8,11-14,18,38H,3-4,9-10,15H2,1-2H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50337654
PNG
(1-(3-(cyclopropylethynyl)benzyl)-3-isopropyl-1-(3-...)
Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)C#CC1CC1)Cc1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C31H30N2O/c1-24(2)32-31(34)33(23-30-13-7-11-28(21-30)19-17-26-14-15-26)22-29-12-6-10-27(20-29)18-16-25-8-4-3-5-9-25/h3-13,20-21,24,26H,14-15,22-23H2,1-2H3,(H,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50109831
PNG
(CHEMBL3604189)
Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cccc(c1)C#Cc1cccnc1
Show InChI InChI=1S/C33H29N3O/c1-26(2)35-33(37)36(24-31-13-6-11-28(21-31)17-16-27-9-4-3-5-10-27)25-32-14-7-12-29(22-32)18-19-30-15-8-20-34-23-30/h3-15,20-23,26H,24-25H2,1-2H3,(H,35,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50109830
PNG
(CHEMBL1289055)
Show SMILES Fc1cccc(Cl)c1-c1nc(c[nH]1)-c1ccc(nc1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C22H12Cl2FN3/c23-16-4-1-3-14(11-16)7-9-17-10-8-15(12-26-17)20-13-27-22(28-20)21-18(24)5-2-6-19(21)25/h1-6,8,10-13H,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50202473
PNG
(CHEMBL3954390)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)C#N
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human monocytes assessed as suppression of fMLP/LPS-stimulated cys-LT formation preincubated for 15 mins measured after 10 mins...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50202473
PNG
(CHEMBL3954390)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)C#N
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human monocytes assessed as suppression of A23187-stimulated 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50202473
PNG
(CHEMBL3954390)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)C#N
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human monocytes assessed as suppression of A23187-stimulated 5-LO product formation using 10 uM arachidonic acid as substrate p...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50109829
PNG
(CHEMBL3604190)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)c3ccccc3C(F)(F)F)ccc12
Show InChI InChI=1S/C22H17F3N2O/c1-2-27-19-10-6-4-7-15(19)17-13-14(11-12-20(17)27)26-21(28)16-8-3-5-9-18(16)22(23,24)25/h3-13H,2H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 60n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360830
PNG
(CHEMBL1934808)
Show SMILES COc1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C17H11BrClN3O/c1-23-17-15-14(11-7-6-9(18)8-13(11)20-17)21-16(22-15)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50202473
PNG
(CHEMBL3954390)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)C#N
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human neutrophils assessed as suppression of A23187-stimulated 5-LO product formation using arachidonic acid as substrate prein...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50202475
PNG
(CHEMBL3983042)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(OCc3ccccc3C#N)ccc2n1Cc1ccccc1Cl
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human neutrophils assessed as suppression of A23187-stimulated 5-LO product formation using arachidonic acid as substrate prein...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50202474
PNG
(CHEMBL3897558)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(OCc3ccccn3)ccc2n1Cc1ccccc1C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human neutrophils assessed as suppression of A23187-stimulated 5-LO product formation using arachidonic acid as substrate prein...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50116890
PNG
(CHEMBL3613038)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCc2cnnn2CCCOC(=O)C2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc1OC(C)=O
Show InChI InChI=1/C36H41N3O11/c1-21-22(2)34-29(23(3)33(21)49-26(6)42)13-15-36(7,50-34)35(44)46-17-8-16-39-28(20-37-38-39)14-18-45-32(43)12-10-27-9-11-30(47-24(4)40)31(19-27)48-25(5)41/h9-12,19-20H,8,13-18H2,1-7H3/b12-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 160n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...


Eur J Med Chem 101: 573-83 (2015)


BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50202472
PNG
(CHEMBL3927809)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(OCC=C)ccc2n1Cc1ccccc1C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human neutrophils assessed as suppression of A23187-stimulated 5-LO product formation using arachidonic acid as substrate prein...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50386747
PNG
(CHEMBL2049148)
Show SMILES CCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2N3O2/c1-2-5-29-35-28-17-16-24(34-30(37)25-6-3-4-7-27(25)33)18-26(28)31(38)36(29)19-20-8-10-21(11-9-20)22-12-14-23(32)15-13-22/h3-4,6-18H,2,5,19H2,1H3,(H,34,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50116902
PNG
(CHEMBL3613026)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCCCCCCC#C)cc1OC(C)=O
Show InChI InChI=1S/C23H28O6/c1-4-5-6-7-8-9-10-11-16-27-23(26)15-13-20-12-14-21(28-18(2)24)22(17-20)29-19(3)25/h1,12-15,17H,5-11,16H2,2-3H3/b15-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...


Eur J Med Chem 101: 573-83 (2015)


BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50393040
PNG
(CHEMBL2152710)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Br)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C16H19BrN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50386743
PNG
(CHEMBL2046483)
Show SMILES CCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C25H21Cl2N3O2/c1-2-7-23-29-22-13-12-17(28-24(31)18-9-4-6-11-21(18)27)14-19(22)25(32)30(23)15-16-8-3-5-10-20(16)26/h3-6,8-14H,2,7,15H2,1H3,(H,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM31127
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11f)
Show SMILES CCOC(=O)c1c(Cc2cccc(Br)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18BrNO3/c1-2-27-22(26)20-17-12-19(25)15-8-3-4-9-16(15)21(17)24-18(20)11-13-6-5-7-14(23)10-13/h3-10,12,24-25H,2,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50116895
PNG
(CHEMBL3613033)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCCCCCCc2cnnn2CCCO)cc1OC(C)=O
Show InChI InChI=1S/C26H35N3O7/c1-20(31)35-24-13-11-22(18-25(24)36-21(2)32)12-14-26(33)34-17-8-6-4-3-5-7-10-23-19-27-28-29(23)15-9-16-30/h11-14,18-19,30H,3-10,15-17H2,1-2H3/b14-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...


Eur J Med Chem 101: 573-83 (2015)


BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50202476
PNG
(CHEMBL3945688)
Show SMILES COC(=O)COc1ccc2n(Cc3ccccc3C(F)(F)F)c(nc2c1)C(C)c1ccc(CC(C)C)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human neutrophils assessed as suppression of A23187-stimulated 5-LO product formation using arachidonic acid as substrate prein...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50152150
PNG
(CHEMBL3781044)
Show SMILES OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C24H15ClN2O4S/c25-16-9-5-14(6-10-16)21-22(24(28)29)27-31-23(21)15-7-11-17(12-8-15)30-13-20-26-18-3-1-2-4-19(18)32-20/h1-12H,13H2,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 240n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in Ca+2 ionophore A23187 stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 1...


Eur J Med Chem 113: 1-10 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7JHB
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50152151
PNG
(CHEMBL3781006)
Show SMILES OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C26H17ClN2O4/c27-19-10-5-17(6-11-19)23-24(26(30)31)29-33-25(23)18-8-13-21(14-9-18)32-15-20-12-7-16-3-1-2-4-22(16)28-20/h1-14H,15H2,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 240n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in Ca+2 ionophore A23187 stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 1...


Eur J Med Chem 113: 1-10 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7JHB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50152154
PNG
(CHEMBL3780876)
Show SMILES OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C23H15ClFNO4/c24-17-8-4-15(5-9-17)20-21(23(27)28)26-30-22(20)16-6-10-19(11-7-16)29-13-14-2-1-3-18(25)12-14/h1-12H,13H2,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 380n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 assessed as 5-LO product formation preincubated for 15 mins followed by addit...


Eur J Med Chem 113: 1-10 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7JHB
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360816
PNG
(CHEMBL1934794)
Show SMILES Cc1ccccc1-c1nc2c(cnc3cc(Br)ccc23)[nH]1
Show InChI InChI=1S/C17H12BrN3/c1-10-4-2-3-5-12(10)17-20-15-9-19-14-8-11(18)6-7-13(14)16(15)21-17/h2-9H,1H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 395n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50109833
PNG
(ARZANOL | Arzanol)
Show SMILES [#6]-[#6]-c1oc(=O)c(-[#6]-c2c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6](-[#6])=O)c2-[#8])c(-[#8])c1-[#6]
Show InChI InChI=1S/C22H26O7/c1-6-16-11(4)18(24)15(22(28)29-16)9-14-19(25)13(8-7-10(2)3)20(26)17(12(5)23)21(14)27/h7,24-27H,6,8-9H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/a 400n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50116903
PNG
(CHEMBL3613025)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCCCC#C)cc1OC(C)=O
Show InChI InChI=1S/C20H22O6/c1-4-5-6-7-8-13-24-20(23)12-10-17-9-11-18(25-15(2)21)19(14-17)26-16(3)22/h1,9-12,14H,5-8,13H2,2-3H3/b12-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 470n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...


Eur J Med Chem 101: 573-83 (2015)


BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50152153
PNG
(CHEMBL3781057)
Show SMILES Cc1ccccc1COc1ccc(cc1)-c1onc(C(O)=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18ClNO4/c1-15-4-2-3-5-18(15)14-29-20-12-8-17(9-13-20)23-21(22(24(27)28)26-30-23)16-6-10-19(25)11-7-16/h2-13H,14H2,1H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 480n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 assessed as 5-LO product formation preincubated for 15 mins followed by addit...


Eur J Med Chem 113: 1-10 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7JHB
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50109828
PNG
(CHEMBL3604284)
Show SMILES CCOC(=O)c1c(Nc2cccc(F)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C21H17FN2O3/c1-2-27-21(26)18-16-11-17(25)14-8-3-4-9-15(14)19(16)24-20(18)23-13-7-5-6-12(22)10-13/h3-11,23-25H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 500n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in fMLP-stimulated human monocytes assessed as reduction in HETE formation


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360819
PNG
(CHEMBL1934797)
Show SMILES Brc1ccc2c3nc([nH]c3cnc2c1)-c1ccccc1Br
Show InChI InChI=1S/C16H9Br2N3/c17-9-5-6-11-13(7-9)19-8-14-15(11)21-16(20-14)10-3-1-2-4-12(10)18/h1-8H,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 506n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Arachidonate 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
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 540n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human neutrophils assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 15 mins before A23187 and arachidon...


Eur J Med Chem 101: 573-83 (2015)


BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50109827
PNG
(CHEMBL411326)
Show SMILES Fc1ccc2c3nc([nH]c3c3cc[nH]c(=O)c3c2c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H11F4N3O/c22-10-5-6-11-14(9-10)16-13(7-8-26-20(16)29)18-17(11)27-19(28-18)12-3-1-2-4-15(12)21(23,24)25/h1-9H,(H,26,29)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 560n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 580n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in Ca+2 ionophore A23187 stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 1...


Eur J Med Chem 113: 1-10 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7JHB
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM31129
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11h)
Show SMILES CCOC(=O)c1c(Cc2cccc(OC)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H21NO4/c1-3-28-23(26)21-18-13-20(25)16-9-4-5-10-17(16)22(18)24-19(21)12-14-7-6-8-15(11-14)27-2/h4-11,13,24-25H,3,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM31122
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11a)
Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-17-12-19(25)15-8-3-4-9-16(15)21(17)24-18(20)11-13-6-5-7-14(23)10-13/h3-10,12,24-25H,2,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50116891
PNG
(CHEMBL3613037)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCOC(=O)\C=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)nn2)cc1OC(C)=O
Show InChI InChI=1S/C33H33N3O12/c1-21(37)45-28-10-6-25(18-30(28)47-23(3)39)8-12-32(41)43-16-5-15-36-20-27(34-35-36)14-17-44-33(42)13-9-26-7-11-29(46-22(2)38)31(19-26)48-24(4)40/h6-13,18-20H,5,14-17H2,1-4H3/b12-8+,13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...


Eur J Med Chem 101: 573-83 (2015)


BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair
Arachidonate 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
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO assessed as product formation by cell-free assay relative to control


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50152158
PNG
(CHEMBL3779965)
Show SMILES OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C24H15ClF3NO4/c25-17-9-5-14(6-10-17)20-21(23(30)31)29-33-22(20)15-7-11-18(12-8-15)32-13-16-3-1-2-4-19(16)24(26,27)28/h1-12H,13H2,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 770n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in Ca+2 ionophore A23187 stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 1...


Eur J Med Chem 113: 1-10 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7JHB
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360814
PNG
(CHEMBL1934792)
Show SMILES Clc1cccc(c1)-c1nc2c(cnc3cc(Br)ccc23)[nH]1
Show InChI InChI=1S/C16H9BrClN3/c17-10-4-5-12-13(7-10)19-8-14-15(12)21-16(20-14)9-2-1-3-11(18)6-9/h1-8H,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Arachidonate 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
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 910n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 assessed as 5-LO product formation preincubated for 15 mins followed by addit...


Eur J Med Chem 113: 1-10 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7JHB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50116904
PNG
(CHEMBL3613024)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCCC#C)cc1OC(C)=O
Show InChI InChI=1S/C19H20O6/c1-4-5-6-7-12-23-19(22)11-9-16-8-10-17(24-14(2)20)18(13-16)25-15(3)21/h1,8-11,13H,5-7,12H2,2-3H3/b11-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 920n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...


Eur J Med Chem 101: 573-83 (2015)


BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50109826
PNG
(CHEMBL1289286)
Show SMILES Fc1cccc(Cl)c1-c1nc(c[nH]1)-c1ccc(nc1)C#Cc1nccs1
Show InChI InChI=1S/C19H10ClFN4S/c20-14-2-1-3-15(21)18(14)19-24-11-16(25-19)12-4-5-13(23-10-12)6-7-17-22-8-9-26-17/h1-5,8-11H,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 940n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50152157
PNG
(CHEMBL3781627)
Show SMILES OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C23H15Cl2NO4/c24-17-9-5-14(6-10-17)20-21(23(27)28)26-30-22(20)15-7-11-18(12-8-15)29-13-16-3-1-2-4-19(16)25/h1-12H,13H2,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in Ca+2 ionophore A23187 stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 1...


Eur J Med Chem 113: 1-10 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7JHB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50116899
PNG
(CHEMBL3613029)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)CCCN=[N+]=[N-])cc1OC(C)=O
Show InChI InChI=1S/C16H17N3O5/c1-11(20)23-15-8-6-13(10-16(15)24-12(2)21)5-7-14(22)4-3-9-18-19-17/h5-8,10H,3-4,9H2,1-2H3/b7-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...


Eur J Med Chem 101: 573-83 (2015)


BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50270615
PNG
(CHEMBL521286 | N-(4-chloro-3-(5-methylbenzo[d]oxaz...)
Show SMILES Cc1ccc2oc(nc2c1)-c1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C22H14ClF3N2O2/c1-12-6-9-19-18(10-12)28-21(30-19)15-11-13(7-8-17(15)23)27-20(29)14-4-2-3-5-16(14)22(24,25)26/h2-11H,1H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair
Arachidonate 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
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...


Eur J Med Chem 101: 573-83 (2015)


BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50152154
PNG
(CHEMBL3780876)
Show SMILES OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C23H15ClFNO4/c24-17-8-4-15(5-9-17)20-21(23(27)28)26-30-22(20)16-6-10-19(11-7-16)29-13-14-2-1-3-18(25)12-14/h1-12H,13H2,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in Ca+2 ionophore A23187 stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 1...


Eur J Med Chem 113: 1-10 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7JHB
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 137 total )  |  Next  |  Last  >>
Jump to: