BindingDB logo
myBDB logout

BDBM50394762 CHEMBL2165874

SMILES: CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccccc1

InChI Key: InChIKey=FKARVUSZHJPDIO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50394762   
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 5-lipoxygenase


(Homo sapiens (Human))
BDBM50394762
PNG
(CHEMBL2165874)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C25H26N2O4S/c1-2-31-23-12-14-24(15-13-23)32(29,30)27(22-10-4-3-5-11-22)19-25(28)26-17-16-20-8-6-7-9-21(20)18-26/h3-15H,2,16-19H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incubated 10 mins before substrate addition by fluorescence spectrophotom...


J Med Chem 55: 2597-605 (2012)


Article DOI: 10.1021/jm201497k
BindingDB Entry DOI: 10.7270/Q20P115J
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50394762
PNG
(CHEMBL2165874)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C25H26N2O4S/c1-2-31-23-12-14-24(15-13-23)32(29,30)27(22-10-4-3-5-11-22)19-25(28)26-17-16-20-8-6-7-9-21(20)18-26/h3-15H,2,16-19H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX in A23187-induced human whole blood assessed as reduction in LTB4 production pre-incubated for 20 mins before A23187 additi...


J Med Chem 55: 2597-605 (2012)


Article DOI: 10.1021/jm201497k
BindingDB Entry DOI: 10.7270/Q20P115J
More data for this
Ligand-Target Pair