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BDBM50043367 10-[2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-acetyl]-1,8-dihydroxy-10H-anthracen-9-one::CHEMBL130209

SMILES: CC(C)(C)c1cc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc(c1O)C(C)(C)C

InChI Key: InChIKey=YYRWFTLKOLBAPB-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 = 50043367   
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)
BDBM50043367
PNG
(10-[2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-acetyl]...)
Show SMILES CC(C)(C)c1cc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C30H32O5/c1-29(2,3)19-13-16(14-20(27(19)34)30(4,5)6)15-23(33)24-17-9-7-11-21(31)25(17)28(35)26-18(24)10-8-12-22(26)32/h7-14,24,31-32,34H,15H2,1-6H3
PDB
MMDB

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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
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)
BDBM50043367
PNG
(10-[2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-acetyl]...)
Show SMILES CC(C)(C)c1cc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C30H32O5/c1-29(2,3)19-13-16(14-20(27(19)34)30(4,5)6)15-23(33)24-17-9-7-11-21(31)25(17)28(35)26-18(24)10-8-12-22(26)32/h7-14,24,31-32,34H,15H2,1-6H3
PDB
MMDB

Reactome pathway

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/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