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

Found 265 hits with Last Name = 'luderer' and Initial = 's'   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50353674
PNG
(CHEMBL1830480)
Show SMILES CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C31H29N3O2/c1-21(2)23-12-16-27(17-13-23)36-31(35)19-15-26-20-29(25-10-8-22(3)9-11-25)34(33-26)30-18-14-24-6-4-5-7-28(24)32-30/h4-14,16-18,20-21H,15,19H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated 12-HHT production in human platelet after 5 mins by HPLC analysis


Eur J Med Chem 46: 5021-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.009
BindingDB Entry DOI: 10.7270/Q2445MVS
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
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31134
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11m)
Show SMILES CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H20ClNO3/c1-2-28-23(27)21-18-13-20(26)16-8-3-4-9-17(16)22(18)25-19(21)11-10-14-6-5-7-15(24)12-14/h3-9,12-13,25-26H,2,10-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/a 490n/an/an/an/a



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-Lipoxygenase expressed in Escherichia coli lysate after 10 mins by HPLC analysis


Eur J Med Chem 46: 5021-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.009
BindingDB Entry DOI: 10.7270/Q2445MVS
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50353666
PNG
(CHEMBL1830471)
Show SMILES Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1
Show InChI InChI=1S/C37H41N5O/c1-27-9-13-30(14-10-27)34-25-32(39-42(34)35-19-15-29-7-5-6-8-33(29)38-35)18-20-36(43)41-23-21-40(22-24-41)26-28-11-16-31(17-12-28)37(2,3)4/h5-17,19,25H,18,20-24,26H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated 12-HHT production in human platelet after 5 mins by HPLC analysis


Eur J Med Chem 46: 5021-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.009
BindingDB Entry DOI: 10.7270/Q2445MVS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31132
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11k)
Show SMILES CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H16ClNO3/c1-2-26-21(25)18-16-11-17(24)14-8-3-4-9-15(14)20(16)23-19(18)12-6-5-7-13(22)10-12/h3-11,23-24H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 45n/a 520n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31135
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11n)
Show SMILES CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H20ClNO3/c1-2-28-23(27)21-18-13-20(26)16-5-3-4-6-17(16)22(18)25-19(21)12-9-14-7-10-15(24)11-8-14/h3-8,10-11,13,25-26H,2,9,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/a 2.80E+3n/an/an/an/a



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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

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



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase in arachidonic acid-stimulated human neutrophils after 15 mins by HPLC analysis in presence of A23187


Eur J Med Chem 46: 5021-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.009
BindingDB Entry DOI: 10.7270/Q2445MVS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31133
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11l)
Show SMILES CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClNO3/c1-2-26-21(25)18-16-11-17(24)14-5-3-4-6-15(14)20(16)23-19(18)12-7-9-13(22)10-8-12/h3-11,23-24H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 67n/a 320n/an/an/an/a



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated 12-HHT production in human platelet after 5 mins by HPLC analysis


Eur J Med Chem 46: 5021-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.009
BindingDB Entry DOI: 10.7270/Q2445MVS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 84n/a 1.20E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 86n/a 230n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31128
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11g)
Show SMILES CCOC(=O)c1c(Cc2ccc(Br)cc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18BrNO3/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
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 95n/a 600n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31126
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11e)
Show SMILES CCOC(=O)c1c(Cc2ccc(F)cc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18FNO3/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
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 96n/a 500n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/a 1.20E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
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
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385376
PNG
(CHEMBL2036377)
Show SMILES COc1ccc2n(Cc3ccccc3Cl)c(nc2c1)C(C)c1ccc(CC(C)C)cc1
Show InChI InChI=1S/C27H29ClN2O/c1-18(2)15-20-9-11-21(12-10-20)19(3)27-29-25-16-23(31-4)13-14-26(25)30(27)17-22-7-5-6-8-24(22)28/h5-14,16,18-19H,15,17H2,1-4H3
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 A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31136
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11o)
Show SMILES CCOC(=O)c1c(CCCc2ccccc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C24H23NO3/c1-2-28-24(27)22-19-15-21(26)17-12-6-7-13-18(17)23(19)25-20(22)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13,15,25-26H,2,8,11,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/a 440n/an/an/an/a



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31138
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11q)
Show SMILES Oc1cc2c(C(=O)OCc3ccccc3)c(Cc3cccc(Cl)c3)[nH]c2c2ccccc12
Show InChI InChI=1S/C27H20ClNO3/c28-19-10-6-9-18(13-19)14-23-25(27(31)32-16-17-7-2-1-3-8-17)22-15-24(30)20-11-4-5-12-21(20)26(22)29-23/h1-13,15,29-30H,14,16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/a 350n/an/an/an/a



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/a 520n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/a 340n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/a 450n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31130
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11i)
Show SMILES CCOC(=O)c1c(Cc2ccc(OC)cc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H21NO4/c1-3-28-23(26)21-18-13-20(25)16-6-4-5-7-17(16)22(18)24-19(21)12-14-8-10-15(27-2)11-9-14/h4-11,13,24-25H,3,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/a 650n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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

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



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human neutrophils assessed as inhibition of enzyme product formation by RP-HPLC analysis


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385380
PNG
(CHEMBL2036382)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(Cl)ccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C26H26Cl2N2/c1-17(2)14-19-8-10-20(11-9-19)18(3)26-29-24-15-22(27)12-13-25(24)30(26)16-21-6-4-5-7-23(21)28/h4-13,15,17-18H,14,16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50397228
PNG
(CHEMBL2172775)
Show SMILES OC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C25H17ClN2O2/c26-22-14-10-19(11-15-22)7-6-18-8-12-20(13-9-18)25-21(16-24(29)30)17-28(27-25)23-4-2-1-3-5-23/h1-5,8-15,17H,16H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31139
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11r)
Show SMILES Oc1cc2c(C(=O)OCc3ccccc3)c(Cc3ccc(Cl)cc3)[nH]c2c2ccccc12
Show InChI InChI=1S/C27H20ClNO3/c28-19-12-10-17(11-13-19)14-23-25(27(31)32-16-18-6-2-1-3-7-18)22-15-24(30)20-8-4-5-9-21(20)26(22)29-23/h1-13,15,29-30H,14,16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/a 480n/an/an/an/a



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50397227
PNG
(CHEMBL2172776)
Show SMILES OC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1cccc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C25H17ClN2O2/c26-22-6-4-5-19(15-22)10-9-18-11-13-20(14-12-18)25-21(16-24(29)30)17-28(27-25)23-7-2-1-3-8-23/h1-8,11-15,17H,16H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385378
PNG
(CHEMBL2036379)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(OCc3ccccn3)ccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C32H32ClN3O/c1-22(2)18-24-11-13-25(14-12-24)23(3)32-35-30-19-28(37-21-27-9-6-7-17-34-27)15-16-31(30)36(32)20-26-8-4-5-10-29(26)33/h4-17,19,22-23H,18,20-21H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385377
PNG
(CHEMBL2036378)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(O)ccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C26H27ClN2O/c1-17(2)14-19-8-10-20(11-9-19)18(3)26-28-24-15-22(30)12-13-25(24)29(26)16-21-6-4-5-7-23(21)27/h4-13,15,17-18,30H,14,16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50397226
PNG
(CHEMBL2172777)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H22ClN3O3S/c32-27-17-19-29(20-18-27)39(37,38)34-30(36)21-26-22-35(28-9-5-2-6-10-28)33-31(26)25-15-13-24(14-16-25)12-11-23-7-3-1-4-8-23/h1-10,13-20,22H,21H2,(H,34,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO (unknown origin)


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/a 710n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31131
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11j)
Show SMILES CCOC(=O)c1c(Cc2ccc(cc2)C(F)(F)F)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H18F3NO3/c1-2-30-22(29)20-17-12-19(28)15-5-3-4-6-16(15)21(17)27-18(20)11-13-7-9-14(10-8-13)23(24,25)26/h3-10,12,27-28H,2,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/a 1.70E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385355
PNG
(CHEMBL2036180)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2ccccc2n1Cc1ccccc1OC(C)=O
Show InChI InChI=1S/C28H30N2O2/c1-19(2)17-22-13-15-23(16-14-22)20(3)28-29-25-10-6-7-11-26(25)30(28)18-24-9-5-8-12-27(24)32-21(4)31/h5-16,19-20H,17-18H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385357
PNG
(CHEMBL2036182)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2ccccc2n1Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H27F3N2/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-31-24-10-6-7-11-25(24)32(26)17-22-8-4-5-9-23(22)27(28,29)30/h4-15,18-19H,16-17H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446419
PNG
(CHEMBL3109719)
Show SMILES COC1=CC(=O)C(Oc2ccc3ccccc3c2)=CC1=O |c:19,t:2|
Show InChI InChI=1S/C17H12O4/c1-20-16-9-15(19)17(10-14(16)18)21-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(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

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



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO (unknown origin) by cell based assay


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50353672
PNG
(CHEMBL1830478)
Show SMILES CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H28N2O2/c1-20(2)22-13-16-26(17-14-22)32-28(31)18-15-24-19-27(23-11-9-21(3)10-12-23)30(29-24)25-7-5-4-6-8-25/h4-14,16-17,19-20H,15,18H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated 12-HHT production in human platelet after 5 mins by HPLC analysis


Eur J Med Chem 46: 5021-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.009
BindingDB Entry DOI: 10.7270/Q2445MVS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31103
PNG
(5-hydroxy-1H-indole-3-carboxylate, 37)
Show SMILES COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C16H13ClN2O3/c1-22-16(21)14-12-8-11(20)5-6-13(12)19-15(14)18-10-4-2-3-9(17)7-10/h2-8,18-20H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/a 2.40E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446413
PNG
(CHEMBL1668217)
Show SMILES O=C1CC(=O)C(Cc2ccc3ccccc3c2)=CC1=O |c:18|
Show InChI InChI=1S/C17H12O3/c18-15-10-17(20)16(19)9-14(15)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9H,8,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using 40 uM of arachidonic acid as substrate preincubated for 15 ...


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385390
PNG
(CHEMBL2036163)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2ccccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C26H27ClN2/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-28-24-10-6-7-11-25(24)29(26)17-22-8-4-5-9-23(22)27/h4-15,18-19H,16-17H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM31143
PNG
(5-hydroxy-1H-indole-3-carboxylate, 22)
Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2cc(c(O)cc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H24ClNO3/c1-2-35-30(34)29-25-18-28(33)24(22-13-11-21(12-14-22)20-8-4-3-5-9-20)17-26(25)32-27(29)16-19-7-6-10-23(31)15-19/h3-15,17-18,32-33H,2,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/a 2.80E+3n/an/an/an/a



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50397225
PNG
(CHEMBL2172778)
Show SMILES Clc1ccc(cc1)C#Cc1ccc(cc1)-c1nn(cc1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C31H21Cl2N3O3S/c32-26-14-10-23(11-15-26)7-6-22-8-12-24(13-9-22)31-25(21-36(34-31)28-4-2-1-3-5-28)20-30(37)35-40(38,39)29-18-16-27(33)17-19-29/h1-5,8-19,21H,20H2,(H,35,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50397229
PNG
(CHEMBL2172774)
Show SMILES OC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H18N2O2/c28-24(29)17-22-18-27(23-9-5-2-6-10-23)26-25(22)21-15-13-20(14-16-21)12-11-19-7-3-1-4-8-19/h1-10,13-16,18H,17H2,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385356
PNG
(CHEMBL2036181)
Show SMILES COc1ccccc1Cn1c(nc2ccccc12)C(C)c1ccc(CC(C)C)cc1
Show InChI InChI=1S/C27H30N2O/c1-19(2)17-21-13-15-22(16-14-21)20(3)27-28-24-10-6-7-11-25(24)29(27)18-23-9-5-8-12-26(23)30-4/h5-16,19-20H,17-18H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385353
PNG
(CHEMBL2036178)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2ccccc2n1Cc1ccccc1C#N
Show InChI InChI=1S/C27H27N3/c1-19(2)16-21-12-14-22(15-13-21)20(3)27-29-25-10-6-7-11-26(25)30(27)18-24-9-5-4-8-23(24)17-28/h4-15,19-20H,16,18H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385359
PNG
(CHEMBL2036186)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H26Cl2N2/c1-17(2)14-19-8-10-20(11-9-19)18(3)26-29-24-6-4-5-7-25(24)30(26)16-21-12-13-22(27)15-23(21)28/h4-13,15,17-18H,14,16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385372
PNG
(CHEMBL2036372)
Show SMILES CC(C)Cc1ccc(Cc2nc3ccccc3n2Cc2ccccc2Cl)cc1
Show InChI InChI=1S/C25H25ClN2/c1-18(2)15-19-11-13-20(14-12-19)16-25-27-23-9-5-6-10-24(23)28(25)17-21-7-3-4-8-22(21)26/h3-14,18H,15-17H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50385351
PNG
(CHEMBL2036176)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2ccccc2n1Cc1ccccc1C
Show InChI InChI=1S/C27H30N2/c1-19(2)17-22-13-15-23(16-14-22)21(4)27-28-25-11-7-8-12-26(25)29(27)18-24-10-6-5-9-20(24)3/h5-16,19,21H,17-18H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 265 total )  |  Next  |  Last  >>
Jump to: