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BDBM50041803 4-(1,8-Dihydroxy-9-oxo-9,10-dihydro-anthracen-2-ylmethyl)-benzoic acid::CHEMBL45410

SMILES: OC(=O)c1ccc(Cc2ccc3Cc4cccc(O)c4C(=O)c3c2O)cc1

InChI Key: InChIKey=RTDKVRGMJUYJST-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50041803   
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)
BDBM50041803
PNG
(4-(1,8-Dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl...)
Show SMILES OC(=O)c1ccc(Cc2ccc3Cc4cccc(O)c4C(=O)c3c2O)cc1
Show InChI InChI=1S/C22H16O5/c23-17-3-1-2-14-11-15-8-9-16(20(24)19(15)21(25)18(14)17)10-12-4-6-13(7-5-12)22(26)27/h1-9,23-24H,10-11H2,(H,26,27)
PDB
MMDB

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UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity, measured by production of 5-hydroxyeicosatetraenoic acid (5-HETE) and leukotriene B4 (LTB4) in bovine polymorphonuclear leu...


J Med Chem 40: 2780-7 (1997)


Article DOI: 10.1021/jm9701785
BindingDB Entry DOI: 10.7270/Q28C9VB4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50041803
PNG
(4-(1,8-Dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl...)
Show SMILES OC(=O)c1ccc(Cc2ccc3Cc4cccc(O)c4C(=O)c3c2O)cc1
Show InChI InChI=1S/C22H16O5/c23-17-3-1-2-14-11-15-8-9-16(20(24)19(15)21(25)18(14)17)10-12-4-6-13(7-5-12)22(26)27/h1-9,23-24H,10-11H2,(H,26,27)
PDB
MMDB

Reactome pathway

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine polymorphonuclear leukocytes


J Med Chem 37: 1660-9 (1994)


BindingDB Entry DOI: 10.7270/Q2H70DW9
More data for this
Ligand-Target Pair