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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50280959'   
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50280959
PNG
(7-Benzyloxy-4-phenyl-3H-naphtho[2,3-c]furan-1-one ...)
Show SMILES O=C1OCc2c1cc1cc(OCc3ccccc3)ccc1c2-c1ccccc1
Show InChI InChI=1S/C25H18O3/c26-25-22-14-19-13-20(27-15-17-7-3-1-4-8-17)11-12-21(19)24(23(22)16-28-25)18-9-5-2-6-10-18/h1-14H,15-16H2
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PC cid
PC sid
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Article
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of LTB4 biosynthesis by human leukocytes


Bioorg Med Chem Lett 3: 2063-2066 (1993)


Article DOI: 10.1016/S0960-894X(01)81016-7
BindingDB Entry DOI: 10.7270/Q2T43T1Z
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50280959
PNG
(7-Benzyloxy-4-phenyl-3H-naphtho[2,3-c]furan-1-one ...)
Show SMILES O=C1OCc2c1cc1cc(OCc3ccccc3)ccc1c2-c1ccccc1
Show InChI InChI=1S/C25H18O3/c26-25-22-14-19-13-20(27-15-17-7-3-1-4-8-17)11-12-21(19)24(23(22)16-28-25)18-9-5-2-6-10-18/h1-14H,15-16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of human recombinant lipoxygenase enzyme


Bioorg Med Chem Lett 3: 2063-2066 (1993)


Article DOI: 10.1016/S0960-894X(01)81016-7
BindingDB Entry DOI: 10.7270/Q2T43T1Z
More data for this
Ligand-Target Pair