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BDBM50222282 3-hydroxy-2-t-butyl-4H-benzopyran-4-one::CHEMBL239023

SMILES: CC(C)(C)c1oc2ccccc2c(=O)c1O

InChI Key: InChIKey=RMDZJHRFMZJMQZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50222282   
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
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222282
PNG
(3-hydroxy-2-t-butyl-4H-benzopyran-4-one | CHEMBL23...)
Show SMILES CC(C)(C)c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-11(15)10(14)8-6-4-5-7-9(8)16-12/h4-7,15H,1-3H3
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222282
PNG
(3-hydroxy-2-t-butyl-4H-benzopyran-4-one | CHEMBL23...)
Show SMILES CC(C)(C)c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-11(15)10(14)8-6-4-5-7-9(8)16-12/h4-7,15H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222282
PNG
(3-hydroxy-2-t-butyl-4H-benzopyran-4-one | CHEMBL23...)
Show SMILES CC(C)(C)c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-11(15)10(14)8-6-4-5-7-9(8)16-12/h4-7,15H,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair