BindingDB logo
myBDB logout

BDBM7457 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromen-4-one::2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromone;dihydrate::CHEMBL31574::Fisetin (14)::Fisetin, 15::fisetin

SMILES: Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

InChI Key: InChIKey=XHEFDIBZLJXQHF-UHFFFAOYSA-N

Data: 3 KI  28 IC50  3 EC50

PDB links: 3 PDB IDs match this monomer.

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 34 hits for monomerid = 7457   
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
Cholinesterase


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
9.00E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Glyoxalase I


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
7.59E+13n/an/an/an/an/an/an/an/a



Uniroyal Chemical Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition constant of compound against binding of Yeast Glyoxalase I


J Med Chem 31: 1396-406 (1988)


Article DOI: 10.1021/jm00402a025
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.96E+4n/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


J Med Chem 51: 3555-61 (2008)


Article DOI: 10.1021/jm800115x
BindingDB Entry DOI: 10.7270/Q237771Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 850n/an/an/an/a7.030



Loma Linda University



Assay Description
The 96-well flat-bottomed plates were coated with recombinant GST-BAD. After the plates were blocked, the reaction buffer containing test compound an...


Mol Cancer Ther 6: 163-72 (2007)


Article DOI: 10.1158/1535-7163.MCT-06-0397
BindingDB Entry DOI: 10.7270/Q2N8783K
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/an/an/a>9.90E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/an/an/a>9.90E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/a37



Eberhard Karls University of Tuebingen



Assay Description
The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...


Chembiochem 11: 2579-88 (2010)


Article DOI: 10.1002/cbic.201000487
BindingDB Entry DOI: 10.7270/Q21C1VDT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/a37



Eberhard Karls University of Tuebingen



Assay Description
The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...


Chembiochem 11: 2579-88 (2010)


Article DOI: 10.1002/cbic.201000487
BindingDB Entry DOI: 10.7270/Q21C1VDT
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 3.24E+4n/an/an/an/a7.4537



Cardiff University



Assay Description
Inhibition assay of human testes mcrosomal 17 beta-hydroxysteroid dehydrogenase for the reduction of androstenedione.


J Enzym Inhib 16: 35-45 (2001)


BindingDB Entry DOI: 10.7270/Q2SX6BRB
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Universite de Strasbourg



Assay Description
H-DXR was pre-incubated during 2 min in the presence of the inhibitors at different concentrations and DXP (480 ÁM). NADPH (160 ÁM final concentratio...


Bioorg Chem 59: 140-4 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q2XS5T4J
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.63E+3n/an/an/an/an/an/a



Konkuk University



Assay Description
The kinase assay was performed using the EMD Millipore KinaseProfiler service assay protocol. Aurora B kinase was supplied by EMD Millipore Corp. The...


Chem Biol Drug Des 85: 574-85 (2015)


Article DOI: 10.1111/cbdd.12445
BindingDB Entry DOI: 10.7270/Q2M61J08
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.49E+4n/an/an/an/a7.437



Josip Juraj Strossmayer University of Osijek



Assay Description
The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 ...


Chem Biol Drug Des 89: 619-627 (2017)


Article DOI: 10.1111/cbdd.12887
BindingDB Entry DOI: 10.7270/Q2X34WBS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 851n/an/an/an/an/an/a



Loma Linda University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase


Bioorg Med Chem 15: 6463-73 (2007)

Checked by Author
Article DOI: 10.1016/j.bmc.2007.06.025
BindingDB Entry DOI: 10.7270/Q2C24W4S
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration


J Med Chem 38: 890-7 (1995)


Article DOI: 10.1021/jm00006a006
BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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
SRC


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Keimyung University

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 17: 1284-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.011
BindingDB Entry DOI: 10.7270/Q2BK1C0H
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 950n/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))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+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
Cruzipain


(Trypanosoma cruzi)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Tryapanosom cruzi cruzain by Flexstation microplate spectrofluorometry


J Med Chem 53: 37-51 (2010)


Article DOI: 10.1021/jm901070c
BindingDB Entry DOI: 10.7270/Q2ZP466W
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Tryapanosom cruzi cruzain by quantitative high throughput screening


J Med Chem 53: 37-51 (2010)


Article DOI: 10.1021/jm901070c
BindingDB Entry DOI: 10.7270/Q2ZP466W
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.84E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage


J Med Chem 38: 890-7 (1995)


Article DOI: 10.1021/jm00006a006
BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabG


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Fatty acid synthase


(Plasmodium falciparum)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabZ


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of FabI


J Med Chem 49: 3345-53 (2006)


Article DOI: 10.1021/jm0600545
BindingDB Entry DOI: 10.7270/Q2639QJS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.90E+4n/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human mast cells assessed as reduction in mast cell degranulation


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.33E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry


J Nat Prod 61: 71-6 (1998)


Article DOI: 10.1021/np970237h
BindingDB Entry DOI: 10.7270/Q29C6Z93
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 2.89E+5n/an/an/an/an/an/a


TBA

Assay Description
In vitro antibacterial activity was determined as inhibitory concentration causing 50% DNA-gyrase supercoiling inhibition (SCI)


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 420n/an/an/an/an/a30



Lawrence Berkeley National Laboratory



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 48: 737-43 (2005)


Article DOI: 10.1021/jm049353p
BindingDB Entry DOI: 10.7270/Q2M61HG4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 790n/an/an/an/a7.030



Lawrence Berkeley National Laboratory



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 48: 737-43 (2005)


Article DOI: 10.1021/jm049353p
BindingDB Entry DOI: 10.7270/Q2M61HG4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 6 (CDK6)


(Homo sapiens (human)-Saimiriine herpesvirus 2)
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 850n/an/an/an/a7.030



Lawrence Berkeley National Laboratory



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 48: 737-43 (2005)


Article DOI: 10.1021/jm049353p
BindingDB Entry DOI: 10.7270/Q2M61HG4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 570n/an/an/an/a7.030



Lawrence Berkeley National Laboratory



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 48: 737-43 (2005)


Article DOI: 10.1021/jm049353p
BindingDB Entry DOI: 10.7270/Q2M61HG4
More data for this
Ligand-Target Pair