new BindingDB logo
myBDB logout

BDBM50043353 1,8-Dihydroxy-10-(3,4,5-trihydroxy-benzylidene)-10H-anthracen-9-one::CHEMBL133805

SMILES: [#8]-c1cc(\[#6]=[#6]-2\c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc(-[#8])c1-[#8]

InChI Key: InChIKey=MCYXTPNILAVSKG-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 = 50043353   
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


(Bos taurus)
BDBM50043353
PNG
(1,8-Dihydroxy-10-(3,4,5-trihydroxy-benzylidene)-10...)
Show SMILES [#8]-c1cc(\[#6]=[#6]-2\c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc(-[#8])c1-[#8]
Show InChI InChI=1S/C21H14O6/c22-14-5-1-3-11-13(7-10-8-16(24)20(26)17(25)9-10)12-4-2-6-15(23)19(12)21(27)18(11)14/h1-9,22-26H
PDB
MMDB

Reactome pathway

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50043353
PNG
(1,8-Dihydroxy-10-(3,4,5-trihydroxy-benzylidene)-10...)
Show SMILES [#8]-c1cc(\[#6]=[#6]-2\c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc(-[#8])c1-[#8]
Show InChI InChI=1S/C21H14O6/c22-14-5-1-3-11-13(7-10-8-16(24)20(26)17(25)9-10)12-4-2-6-15(23)19(12)21(27)18(11)14/h1-9,22-26H
PDB
MMDB

Reactome pathway

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 400n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair