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BDBM26659 7,3-dihydroxyflavone::7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one

SMILES: Oc1cccc(c1)-c1cc(=O)c2ccc(O)cc2o1

InChI Key: InChIKey=DYARIVMCYYQNNQ-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer. 19 PDB IDs contain this monomer as substructures. 19 PDB IDs contain inhibitors having a similarity of 90% to 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 6 hits for monomerid = 26659   
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26659
PNG
(7,3-dihydroxyflavone | 7-hydroxy-2-(3-hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 4.52E+3n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26659
PNG
(7,3-dihydroxyflavone | 7-hydroxy-2-(3-hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H
PDB
MMDB

KEGG

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PC cid
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Article
PubMed
n/an/a 4.57E+3n/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
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM26659
PNG
(7,3-dihydroxyflavone | 7-hydroxy-2-(3-hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H
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antibodypedia
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PubMed
n/an/a 280n/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)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM26659
PNG
(7,3-dihydroxyflavone | 7-hydroxy-2-(3-hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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MMDB
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PC sid
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Article
PubMed
n/an/a 9.50E+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)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM26659
PNG
(7,3-dihydroxyflavone | 7-hydroxy-2-(3-hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H
PDB

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antibodypedia
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Article
PubMed
n/an/a 620n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SRC


(Homo sapiens (human))
BDBM26659
PNG
(7,3-dihydroxyflavone | 7-hydroxy-2-(3-hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Article
n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair