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BDBM50446413 CHEMBL1668217

SMILES: O=C1CC(=O)C(Cc2ccc3ccccc3c2)=CC1=O

InChI Key: InChIKey=BIGJSLTZTKFRGZ-UHFFFAOYSA-N

Data: 6 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 = 50446413   
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))
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
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 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))
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
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 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))
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
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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
12-Lipoxygenase (12-LOX)


(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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 12-LO in human PMNL using arachidonic acid preincubated for 15 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))
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

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n/an/a 970n/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 5 uM of arachidonic acid as substrate preincubated for 15 m...


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))
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 780n/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