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BDBM50222307 6,7-dihydroxy-3',4'-methylenedioxyisoflavan::CHEMBL239677

SMILES: Oc1cc2CC(COc2cc1O)c1ccc2OCOc2c1

InChI Key: InChIKey=DJLSRLIZCRXUKZ-UHFFFAOYSA-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 = 50222307   
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))
BDBM50222307
PNG
(6,7-dihydroxy-3',4'-methylenedioxyisoflavan | CHEM...)
Show SMILES Oc1cc2CC(COc2cc1O)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H14O5/c17-12-4-10-3-11(7-19-15(10)6-13(12)18)9-1-2-14-16(5-9)21-8-20-14/h1-2,4-6,11,17-18H,3,7-8H2
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Article
PubMed
n/an/a 1.60E+4n/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
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222307
PNG
(6,7-dihydroxy-3',4'-methylenedioxyisoflavan | CHEM...)
Show SMILES Oc1cc2CC(COc2cc1O)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H14O5/c17-12-4-10-3-11(7-19-15(10)6-13(12)18)9-1-2-14-16(5-9)21-8-20-14/h1-2,4-6,11,17-18H,3,7-8H2
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PC sid
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Article
PubMed
n/an/a 350n/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
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222307
PNG
(6,7-dihydroxy-3',4'-methylenedioxyisoflavan | CHEM...)
Show SMILES Oc1cc2CC(COc2cc1O)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H14O5/c17-12-4-10-3-11(7-19-15(10)6-13(12)18)9-1-2-14-16(5-9)21-8-20-14/h1-2,4-6,11,17-18H,3,7-8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+4n/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