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BDBM50114094 4-bromo-5-[(2R,3S)-4-(2-bromo-4,5-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol::CHEMBL89283

SMILES: C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br

InChI Key: InChIKey=RPWAFUHXMZVHEN-AOOOYVTPSA-N

Data: 3 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 3 hits for monomerid = 50114094   
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 15-lipoxygenase


(Homo sapiens (Human))
BDBM50114094
PNG
(4-bromo-5-[(2R,3S)-4-(2-bromo-4,5-dihydroxyphenyl)...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br
Show InChI InChI=1S/C18H20Br2O4/c1-9(3-11-5-15(21)17(23)7-13(11)19)10(2)4-12-6-16(22)18(24)8-14(12)20/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)


J Med Chem 45: 2659-61 (2002)


Article DOI: 10.1021/jm0201262
BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50114094
PNG
(4-bromo-5-[(2R,3S)-4-(2-bromo-4,5-dihydroxyphenyl)...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br
Show InChI InChI=1S/C18H20Br2O4/c1-9(3-11-5-15(21)17(23)7-13(11)19)10(2)4-12-6-16(22)18(24)8-14(12)20/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet 12-lipoxygenase (12-HLO)


J Med Chem 45: 2659-61 (2002)


Article DOI: 10.1021/jm0201262
BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50114094
PNG
(4-bromo-5-[(2R,3S)-4-(2-bromo-4,5-dihydroxyphenyl)...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br
Show InChI InChI=1S/C18H20Br2O4/c1-9(3-11-5-15(21)17(23)7-13(11)19)10(2)4-12-6-16(22)18(24)8-14(12)20/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)


Article DOI: 10.1021/jm0201262
BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair