BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 110 hits from Eberhard Karls University Tuebingen   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50168761
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluorobiphenyl-4-yl)-3-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C33H29ClFNO2/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38/h4-18H,19-20H2,1-3H3,(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as residual enzyme activity after 1 min by measuring PGE2 level...


J Med Chem 52: 4968-72 (2009)


Article DOI: 10.1021/jm900481c
BindingDB Entry DOI: 10.7270/Q29C6XGX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Binding affinity to FLAP


J Med Chem 52: 4968-72 (2009)


Article DOI: 10.1021/jm900481c
BindingDB Entry DOI: 10.7270/Q29C6XGX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM31123
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11b)
Show SMILES CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-16-12-19(25)14-8-4-5-9-15(14)21(16)24-18(20)11-13-7-3-6-10-17(13)23/h3-10,12,24-25H,2,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair
Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma


(Homo sapiens)
BDBM50048418
PNG
(CHEMBL3360227)
Show SMILES COc1cc(Nc2nccnc2NS(=O)(=O)c2cccc(N)c2)cc(OC)c1
Show InChI InChI=1S/C18H19N5O4S/c1-26-14-9-13(10-15(11-14)27-2)22-17-18(21-7-6-20-17)23-28(24,25)16-5-3-4-12(19)8-16/h3-11H,19H2,1-2H3,(H,20,22)(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human GDT-fused recombinant PI3K-C2gamma assessed as residual activity by nonradiometric ADP-Glo assay


J Med Chem 58: 212-21 (2015)


Article DOI: 10.1021/jm5006034
BindingDB Entry DOI: 10.7270/Q2HM5B2D
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM31125
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11d)
Show SMILES CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18FNO3/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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
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
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50344892
PNG
(CHEMBL1780187 | ethyl 2-(4-(3-(quinolin-6-yloxy)pr...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(=O)OCC
Show InChI InChI=1S/C26H31NO4S/c1-3-5-9-25(26(28)29-4-2)32-23-13-10-21(11-14-23)30-17-7-18-31-22-12-15-24-20(19-22)8-6-16-27-24/h6,8,10-16,19,25H,3-5,7,9,17-18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297888
PNG
(2-(4-(3-(biphenyl-4-yloxy)propoxy)phenylthio)hexan...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H30O4S/c1-2-3-10-26(27(28)29)32-25-17-15-24(16-18-25)31-20-7-19-30-23-13-11-22(12-14-23)21-8-5-4-6-9-21/h4-6,8-9,11-18,26H,2-3,7,10,19-20H2,1H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297879
PNG
((R)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...)
Show SMILES CCCC[C@@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O
Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297885
PNG
(2-(4-(3-(3-isopropylphenoxy)propoxy)phenylthio)hex...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(C)C)cc1)C(O)=O
Show InChI InChI=1S/C24H32O4S/c1-4-5-10-23(24(25)26)29-22-13-11-20(12-14-22)27-15-7-16-28-21-9-6-8-19(17-21)18(2)3/h6,8-9,11-14,17-18,23H,4-5,7,10,15-16H2,1-3H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297881
PNG
(2-(4-(3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)prop...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc3CCCCc23)cc1)C(O)=O
Show InChI InChI=1S/C25H32O4S/c1-2-3-12-24(25(26)27)30-21-15-13-20(14-16-21)28-17-7-18-29-23-11-6-9-19-8-4-5-10-22(19)23/h6,9,11,13-16,24H,2-5,7-8,10,12,17-18H2,1H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297887
PNG
(2-(4-(3-(4-chloro-3-(trifluoromethyl)phenoxy)propo...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(Cl)c(c2)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClF3O4S/c1-2-3-5-20(21(27)28)31-17-9-6-15(7-10-17)29-12-4-13-30-16-8-11-19(23)18(14-16)22(24,25)26/h6-11,14,20H,2-5,12-13H2,1H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297886
PNG
(2-(4-(3-(3-(trifluoromethyl)phenoxy)propoxy)phenyl...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H25F3O4S/c1-2-3-8-20(21(26)27)30-19-11-9-17(10-12-19)28-13-5-14-29-18-7-4-6-16(15-18)22(23,24)25/h4,6-7,9-12,15,20H,2-3,5,8,13-14H2,1H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297884
PNG
(2-(4-(3-(2-isopropylphenoxy)propoxy)phenylthio)hex...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2ccccc2C(C)C)cc1)C(O)=O
Show InChI InChI=1S/C24H32O4S/c1-4-5-11-23(24(25)26)29-20-14-12-19(13-15-20)27-16-8-17-28-22-10-7-6-9-21(22)18(2)3/h6-7,9-10,12-15,18,23H,4-5,8,11,16-17H2,1-3H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50344896
PNG
(2-(4-(3-(2,3-dimethylphenoxy)propoxy)benzylidene)h...)
Show SMILES CCCC\C(=C/c1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O
Show InChI InChI=1S/C24H30O4/c1-4-5-9-21(24(25)26)17-20-11-13-22(14-12-20)27-15-7-16-28-23-10-6-8-18(2)19(23)3/h6,8,10-14,17H,4-5,7,9,15-16H2,1-3H3,(H,25,26)/b21-17+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM31121
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 14)
Show SMILES CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C21H17ClN2O3/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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50297887
PNG
(2-(4-(3-(4-chloro-3-(trifluoromethyl)phenoxy)propo...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(Cl)c(c2)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClF3O4S/c1-2-3-5-20(21(27)28)31-17-9-6-15(7-10-17)29-12-4-13-30-16-8-11-19(23)18(14-16)22(24,25)26/h6-11,14,20H,2-5,12-13H2,1H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM31140
PNG
(1H-benzo[g]indole-3-carboxylate, 19)
Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1cc(OC)c(OC)cc21
Show InChI InChI=1S/C24H22ClNO5/c1-4-31-24(28)22-17-10-19(27)15-11-20(29-2)21(30-3)12-16(15)23(17)26-18(22)9-13-6-5-7-14(25)8-13/h5-8,10-12,26-27H,4,9H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50294201
PNG
(3-(6-(4-chlorophenyl)-7-phenyl-2,3-dihydro-1H-pyrr...)
Show SMILES OC(=O)CCc1c(c(c2CCCn12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClNO2/c23-17-10-8-16(9-11-17)22-19(12-13-20(25)26)24-14-4-7-18(24)21(22)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as residual enzyme activity after 1 min by measuring PGE2 level...


J Med Chem 52: 4968-72 (2009)


Article DOI: 10.1021/jm900481c
BindingDB Entry DOI: 10.7270/Q29C6XGX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297880
PNG
((S)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...)
Show SMILES CCCC[C@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O
Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50297886
PNG
(2-(4-(3-(3-(trifluoromethyl)phenoxy)propoxy)phenyl...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H25F3O4S/c1-2-3-8-20(21(26)27)30-19-11-9-17(10-12-19)28-13-5-14-29-18-7-4-6-16(15-18)22(23,24)25/h4,6-7,9-12,15,20H,2-3,5,8,13-14H2,1H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297887
PNG
(2-(4-(3-(4-chloro-3-(trifluoromethyl)phenoxy)propo...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(Cl)c(c2)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClF3O4S/c1-2-3-5-20(21(27)28)31-17-9-6-15(7-10-17)29-12-4-13-30-16-8-11-19(23)18(14-16)22(24,25)26/h6-11,14,20H,2-5,12-13H2,1H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
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
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cells assessed as PGE2 production preincubated for 10 mins


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297892
PNG
(2-(4-(3-(2,3-dimethylphenoxy)propoxy)benzyl)hexano...)
Show SMILES CCCCC(Cc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O
Show InChI InChI=1S/C24H32O4/c1-4-5-9-21(24(25)26)17-20-11-13-22(14-12-20)27-15-7-16-28-23-10-6-8-18(2)19(23)3/h6,8,10-14,21H,4-5,7,9,15-17H2,1-3H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50294202
PNG
(2-(6-(4-Chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)CCc1c(c(c2CC(C)(C)Cn12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H31ClN2O3S/c1-21-9-15-25(16-10-21)38(36,37)33-28(35)18-17-26-29(23-11-13-24(32)14-12-23)30(22-7-5-4-6-8-22)27-19-31(2,3)20-34(26)27/h4-16H,17-20H2,1-3H3,(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as residual enzyme activity after 1 min by measuring PGE2 level...


J Med Chem 52: 4968-72 (2009)


Article DOI: 10.1021/jm900481c
BindingDB Entry DOI: 10.7270/Q29C6XGX
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.11E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as residual enzyme activity after 1 min by measuring PGE2 level...


J Med Chem 52: 4968-72 (2009)


Article DOI: 10.1021/jm900481c
BindingDB Entry DOI: 10.7270/Q29C6XGX
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50297888
PNG
(2-(4-(3-(biphenyl-4-yloxy)propoxy)phenylthio)hexan...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H30O4S/c1-2-3-10-26(27(28)29)32-25-17-15-24(16-18-25)31-20-7-19-30-23-13-11-22(12-14-23)21-8-5-4-6-9-21/h4-6,8-9,11-18,26H,2-3,7,10,19-20H2,1H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50297881
PNG
(2-(4-(3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)prop...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc3CCCCc23)cc1)C(O)=O
Show InChI InChI=1S/C25H32O4S/c1-2-3-12-24(25(26)27)30-21-15-13-20(14-16-21)28-17-7-18-29-23-11-6-9-19-8-4-5-10-22(19)23/h6,9,11,13-16,24H,2-5,7-8,10,12,17-18H2,1H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50297885
PNG
(2-(4-(3-(3-isopropylphenoxy)propoxy)phenylthio)hex...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(c2)C(C)C)cc1)C(O)=O
Show InChI InChI=1S/C24H32O4S/c1-4-5-10-23(24(25)26)29-22-13-11-20(12-14-22)27-15-7-16-28-21-9-6-8-19(17-21)18(2)3/h6,8-9,11-14,17-18,23H,4-5,7,10,15-16H2,1-3H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (human))
BDBM50048419
PNG
(CHEMBL3360231)
Show SMILES Oc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H13ClN4O3S/c17-13-7-6-11(22)10-14(13)20-15-16(19-9-8-18-15)21-25(23,24)12-4-2-1-3-5-12/h1-10,22H,(H,18,20)(H,19,21)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.71E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human GDT-fused recombinant PI3K-C2beta assessed as residual activity by nonradiometric ADP-Glo assay


J Med Chem 58: 212-21 (2015)


Article DOI: 10.1021/jm5006034
BindingDB Entry DOI: 10.7270/Q2HM5B2D
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50304663
PNG
(CHEMBL595040 | ethyl 2-(3-chlorobenzyl)-5-hydroxy-...)
Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccc(cc21)-c1ccccc1
Show InChI InChI=1S/C28H22ClNO3/c1-2-33-28(32)26-23-16-25(31)21-12-11-19(18-8-4-3-5-9-18)15-22(21)27(23)30-24(26)14-17-7-6-10-20(29)13-17/h3-13,15-16,30-31H,2,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50297878
PNG
(2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthio)he...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O
Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297878
PNG
(2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthio)he...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O
Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50304664
PNG
(CHEMBL605093 | ethyl 1-(biphenyl-4-yl)-2-(3-chloro...)
Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)n(-c2ccc(cc2)-c2ccccc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H24ClNO3/c1-2-35-30(34)29-26-19-25(33)15-16-27(26)32(28(29)18-20-7-6-10-23(31)17-20)24-13-11-22(12-14-24)21-8-4-3-5-9-21/h3-17,19,33H,2,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM31124
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11c)
Show SMILES CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-17-12-19(25)15-5-3-4-6-16(15)21(17)24-18(20)11-13-7-9-14(23)10-8-13/h3-10,12,24-25H,2,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair
Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma


(Homo sapiens)
BDBM50048416
PNG
(CHEMBL3360219)
Show SMILES COc1ccc(OC)c(Nc2nccnc2NS(=O)(=O)c2cccc(NC(C)=O)c2)c1
Show InChI InChI=1S/C20H21N5O5S/c1-13(26)23-14-5-4-6-16(11-14)31(27,28)25-20-19(21-9-10-22-20)24-17-12-15(29-2)7-8-18(17)30-3/h4-12H,1-3H3,(H,21,24)(H,22,25)(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.41E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human GDT-fused recombinant PI3K-C2gamma assessed as residual activity by nonradiometric ADP-Glo assay


J Med Chem 58: 212-21 (2015)


Article DOI: 10.1021/jm5006034
BindingDB Entry DOI: 10.7270/Q2HM5B2D
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297888
PNG
(2-(4-(3-(biphenyl-4-yloxy)propoxy)phenylthio)hexan...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H30O4S/c1-2-3-10-26(27(28)29)32-25-17-15-24(16-18-25)31-20-7-19-30-23-13-11-22(12-14-23)21-8-5-4-6-9-21/h4-6,8-9,11-18,26H,2-3,7,10,19-20H2,1H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma


(Homo sapiens)
BDBM50048417
PNG
(CHEMBL3360221)
Show SMILES COc1ccc(OC)c(Nc2nccnc2NS(=O)(=O)c2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C19H18N4O6S/c1-28-13-6-7-16(29-2)15(11-13)22-17-18(21-9-8-20-17)23-30(26,27)14-5-3-4-12(10-14)19(24)25/h3-11H,1-2H3,(H,20,22)(H,21,23)(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.61E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human GDT-fused recombinant PI3K-C2gamma assessed as residual activity by nonradiometric ADP-Glo assay


J Med Chem 58: 212-21 (2015)


Article DOI: 10.1021/jm5006034
BindingDB Entry DOI: 10.7270/Q2HM5B2D
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50294195
PNG
(5-((1H-tetrazol-5-yl)methyl)-6-(4-chlorophenyl)-2,...)
Show SMILES CC1(C)Cc2c(c(c(Cc3nnn[nH]3)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22ClN5/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(29(19)14-23)12-20-25-27-28-26-20/h3-11H,12-14H2,1-2H3,(H,25,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as residual enzyme activity after 1 min by measuring PGE2 level...


J Med Chem 52: 4968-72 (2009)


Article DOI: 10.1021/jm900481c
BindingDB Entry DOI: 10.7270/Q29C6XGX
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50297884
PNG
(2-(4-(3-(2-isopropylphenoxy)propoxy)phenylthio)hex...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2ccccc2C(C)C)cc1)C(O)=O
Show InChI InChI=1S/C24H32O4S/c1-4-5-11-23(24(25)26)29-20-14-12-19(13-15-20)27-16-8-17-28-22-10-7-6-9-21(22)18(2)3/h6-7,9-10,12-15,18,23H,4-5,8,11,16-17H2,1-3H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50297879
PNG
((R)-2-(4-(3-(2,3-dimethylphenoxy)propoxy)phenylthi...)
Show SMILES CCCC[C@@H](Sc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O
Show InChI InChI=1S/C23H30O4S/c1-4-5-10-22(23(24)25)28-20-13-11-19(12-14-20)26-15-7-16-27-21-9-6-8-17(2)18(21)3/h6,8-9,11-14,22H,4-5,7,10,15-16H2,1-3H3,(H,24,25)/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50297881
PNG
(2-(4-(3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)prop...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc3CCCCc23)cc1)C(O)=O
Show InChI InChI=1S/C25H32O4S/c1-2-3-12-24(25(26)27)30-21-15-13-20(14-16-21)28-17-7-18-29-23-11-6-9-19-8-4-5-10-22(19)23/h6,9,11,13-16,24H,2-5,7-8,10,12,17-18H2,1H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50294196
PNG
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES CC1(C)Cc2c(c(c(CC(=O)NS(=O)(=O)c3ccccc3)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C29H27ClN2O3S/c1-29(2)18-25-28(20-9-5-3-6-10-20)27(21-13-15-22(30)16-14-21)24(32(25)19-29)17-26(33)31-36(34,35)23-11-7-4-8-12-23/h3-16H,17-19H2,1-2H3,(H,31,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as residual enzyme activity after 1 min by measuring PGE2 level...


J Med Chem 52: 4968-72 (2009)


Article DOI: 10.1021/jm900481c
BindingDB Entry DOI: 10.7270/Q29C6XGX
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 110 total )  |  Next  |  Last  >>
Jump to: