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BDBM50157555 2-(3,4-dihydroxyphenyl)-4H-chromen-4-one::3',4'-dihydroxy flavone::3',4'-dihydroxyflavone::CHEMBL222556

SMILES: Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1

InChI Key: InChIKey=SRNPMQHYWVKBAV-UHFFFAOYSA-N

Data: 1 KI  9 IC50

PDB links: 1 PDB ID matches 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 10 hits for monomerid = 50157555   
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
Lipoxygenase-1


(Glycine max (soybean))
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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Article
PubMed
8.45E+4n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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n/an/a>5.00E+5n/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
Leucine aminopeptidase (LAP)


(Sus scrofa (Pig))
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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n/an/a 3.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of pig kidney cytosolic Leucyl aminopeptidase


J Nat Prod 58: 823-829 (1995)


Article DOI: 10.1021/np50120a001
BindingDB Entry DOI: 10.7270/Q2K937J6
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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n/an/a 9.48E+3n/an/an/an/an/an/a



State Key Laboratory of Bioreactor Engineering

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli BL21 (DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye redu...


J Med Chem 55: 8341-9 (2012)


Article DOI: 10.1021/jm300630p
BindingDB Entry DOI: 10.7270/Q2XP762X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ARTD1 by fluorescence assay


J Med Chem 56: 3507-17 (2013)


Article DOI: 10.1021/jm3018783
BindingDB Entry DOI: 10.7270/Q24M95W6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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n/an/a 170n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assa...


J Med Chem 56: 3507-17 (2013)


Article DOI: 10.1021/jm3018783
BindingDB Entry DOI: 10.7270/Q24M95W6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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n/an/a 230n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid residues) by fluorescence assay


J Med Chem 56: 3507-17 (2013)


Article DOI: 10.1021/jm3018783
BindingDB Entry DOI: 10.7270/Q24M95W6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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n/an/a 1.24E+4n/an/an/an/an/an/a



State Key Laboratory of Bioreactor Engineering

Curated by ChEMBL


Assay Description
Inhibition of human DHODH expressed in Escherichia coli BL21(DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye reduction assay


J Med Chem 55: 8341-9 (2012)


Article DOI: 10.1021/jm300630p
BindingDB Entry DOI: 10.7270/Q2XP762X
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens)
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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n/an/a>4.00E+4n/an/an/an/an/an/a



BU-Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human telomerase from HEK293 cell extracts by Flash-Plate assay


J Med Chem 47: 6466-75 (2004)


Article DOI: 10.1021/jm040810b
BindingDB Entry DOI: 10.7270/Q2P55N1R
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair