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BDBM50222297 7,8-dihydroxy-4'-methylisoflavone::CHEMBL395449::IR-303

SMILES: Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O

InChI Key: InChIKey=OANWEBOHKLZIJJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50222297   
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))
BDBM50222297
PNG
(7,8-dihydroxy-4'-methylisoflavone | CHEMBL395449 |...)
Show SMILES Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-8-20-16-11(14(12)18)6-7-13(17)15(16)19/h2-8,17,19H,1H3
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50222297
PNG
(7,8-dihydroxy-4'-methylisoflavone | CHEMBL395449 |...)
Show SMILES Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-8-20-16-11(14(12)18)6-7-13(17)15(16)19/h2-8,17,19H,1H3
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Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222297
PNG
(7,8-dihydroxy-4'-methylisoflavone | CHEMBL395449 |...)
Show SMILES Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-8-20-16-11(14(12)18)6-7-13(17)15(16)19/h2-8,17,19H,1H3
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Article
PubMed
n/an/a 1.60E+3n/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))
BDBM50222297
PNG
(7,8-dihydroxy-4'-methylisoflavone | CHEMBL395449 |...)
Show SMILES Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-8-20-16-11(14(12)18)6-7-13(17)15(16)19/h2-8,17,19H,1H3
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Article
PubMed
n/an/a 7.80E+3n/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
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222297
PNG
(7,8-dihydroxy-4'-methylisoflavone | CHEMBL395449 |...)
Show SMILES Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-8-20-16-11(14(12)18)6-7-13(17)15(16)19/h2-8,17,19H,1H3
PDB

Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem

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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