BindingDB logo
myBDB logout

BDBM50053524 4-{3-[7-(1-Hydroxy-1-methyl-ethyl)-5-phenyl-naphthalen-2-yloxymethyl]-phenyl}-tetrahydro-pyran-4-ol::CHEMBL339953

SMILES: CC(C)(O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1

InChI Key: InChIKey=VOBYADWYPHDWOP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50053524   
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))
BDBM50053524
PNG
(4-{3-[7-(1-Hydroxy-1-methyl-ethyl)-5-phenyl-naphth...)
Show SMILES CC(C)(O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C31H32O4/c1-30(2,32)26-18-24-19-27(11-12-28(24)29(20-26)23-8-4-3-5-9-23)35-21-22-7-6-10-25(17-22)31(33)13-15-34-16-14-31/h3-12,17-20,32-33H,13-16,21H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenase


J Med Chem 39: 3951-70 (1996)


Article DOI: 10.1021/jm960301c
BindingDB Entry DOI: 10.7270/Q2639QCJ
More data for this
Ligand-Target Pair