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BDBM15236 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one::3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one::CHEMBL164::Cannabiscetin::Myricetin::Myricetin (20)::Myricetin (Myr)::cid_5281672

SMILES: Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O

InChI Key: InChIKey=IKMDFBPHZNJCSN-UHFFFAOYSA-N

Data: 11 KI  50 IC50  1 Kd  7 EC50

PDB links: 7 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 68 hits for monomerid = 15236   
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
3-oxoacyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.40E+4n/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
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 400n/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
Fatty acid synthase


(Plasmodium falciparum)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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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
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/an/an/a 5.40E+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))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 6.40E+3n/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
DNA primase traC


(Escherichia coli)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 7.00E+5n/an/an/an/an/an/a



University of Nebraska-Lincoln

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli primase


Bioorg Med Chem 15: 7203-8 (2007)


Article DOI: 10.1016/j.bmc.2007.07.057
BindingDB Entry DOI: 10.7270/Q26H4J7X
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.20E+3n/an/an/an/an/an/a



Humboldt-Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of human recombinant brain tau protein (412 amino acid residues) filament assembly expressed in Escherichia coli BL21(DE3) by electron mic...


J Med Chem 56: 4135-55 (2013)


Article DOI: 10.1021/jm3017317
BindingDB Entry DOI: 10.7270/Q2HT2QQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.69E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1768-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.049
BindingDB Entry DOI: 10.7270/Q2H70H54
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 2.38E+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
Aldo-keto reductase family 1 member C21


(Mus musculus)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.23E+4n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant AKR1C21


Bioorg Med Chem 16: 3245-54 (2008)


Article DOI: 10.1016/j.bmc.2007.12.016
BindingDB Entry DOI: 10.7270/Q2PZ59P2
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 2.90E+4n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase


Bioorg Med Chem 16: 3245-54 (2008)


Article DOI: 10.1016/j.bmc.2007.12.016
BindingDB Entry DOI: 10.7270/Q2PZ59P2
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.00E+4n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human aromatase by fluorometric assay


Bioorg Med Chem 16: 8466-70 (2008)


Article DOI: 10.1016/j.bmc.2008.08.034
BindingDB Entry DOI: 10.7270/Q2CV4JN9
More data for this
Ligand-Target Pair
Protein E6


(Human papillomavirus type 16)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 850n/an/an/an/an/an/a



Loma Linda University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Human papillomavirus 16 protein E6 interaction with His-tagged human caspase 8 expressed in Escherichia coli after 1 hr incu...


Bioorg Med Chem Lett 22: 2125-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.145
BindingDB Entry DOI: 10.7270/Q2DV1KW1
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/an/an/a 3.02E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/an/an/a 1.47E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactmas...


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 2.12E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 7.07E+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
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