BindingDB logo
myBDB logout

BDBM50045523 CHEBI:34151::CHEMBL3310737

SMILES: CCCCC\C=C/CC(=O)\C=C\C=C/C\C=C/CCCC(O)=O

InChI Key: InChIKey=GURBRQGDZZKITB-VXBMJZGYSA-N

Data: 1 KI  5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50045523   
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
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50045523
PNG
(CHEBI:34151 | CHEMBL3310737)
Show SMILES CCCCC\C=C/CC(=O)\C=C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.68E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Irreversible inhibition of human reticulocyte 15-lipoxygenase-1 by assessed as equilibrium inhibitor constant


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50045523
PNG
(CHEBI:34151 | CHEMBL3310737)
Show SMILES CCCCC\C=C/CC(=O)\C=C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte 15-lipoxygenase-2 by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50045523
PNG
(CHEBI:34151 | CHEMBL3310737)
Show SMILES CCCCC\C=C/CC(=O)\C=C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human platelet 12-lipoxygenase by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50045523
PNG
(CHEBI:34151 | CHEMBL3310737)
Show SMILES CCCCC\C=C/CC(=O)\C=C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte 5-lipoxygenase by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50045523
PNG
(CHEBI:34151 | CHEMBL3310737)
Show SMILES CCCCC\C=C/CC(=O)\C=C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rabbit reticulocyte 15-LOX by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50045523
PNG
(CHEBI:34151 | CHEMBL3310737)
Show SMILES CCCCC\C=C/CC(=O)\C=C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

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



University of California

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte 15-lipoxygenase-1 by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair