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BDBM50043348 1,8-Dihydroxy-10-(4-nitro-benzylidene)-10H-anthracen-9-one::1,8-dihydroxy-10-(4-nitrobenzylidene)anthracen-9(10H)-one::CHEMBL337845

SMILES: [#8]-c1cccc2\[#6](=[#6]\c3ccc(cc3)-[#7+](-[#8-])=O)-c3cccc(-[#8])c3-[#6](=O)-c12

InChI Key: InChIKey=ITRWJABLTBZJPV-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50043348   
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)
BDBM50043348
PNG
(1,8-Dihydroxy-10-(4-nitro-benzylidene)-10H-anthrac...)
Show SMILES [#8]-c1cccc2\[#6](=[#6]\c3ccc(cc3)-[#7+](-[#8-])=O)-c3cccc(-[#8])c3-[#6](=O)-c12
Show InChI InChI=1S/C21H13NO5/c23-17-5-1-3-14-16(11-12-7-9-13(10-8-12)22(26)27)15-4-2-6-18(24)20(15)21(25)19(14)17/h1-11,23-24H
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Patents

PubMed
n/an/a 1.40E+4n/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)
BDBM50043348
PNG
(1,8-Dihydroxy-10-(4-nitro-benzylidene)-10H-anthrac...)
Show SMILES [#8]-c1cccc2\[#6](=[#6]\c3ccc(cc3)-[#7+](-[#8-])=O)-c3cccc(-[#8])c3-[#6](=O)-c12
Show InChI InChI=1S/C21H13NO5/c23-17-5-1-3-14-16(11-12-7-9-13(10-8-12)22(26)27)15-4-2-6-18(24)20(15)21(25)19(14)17/h1-11,23-24H
PDB
MMDB

Reactome pathway

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
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