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BDBM50187657 3,6-dihydroxy-2-phenyl-4H-chromen-4-one::3,6-dihydroxy-flavone::3,6-dihydroxyflavone::CHEMBL210411

SMILES: Oc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1

InChI Key: InChIKey=XHLOLFKZCUCROE-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50187657   
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
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50187657
PNG
(3,6-dihydroxy-2-phenyl-4H-chromen-4-one | 3,6-dihy...)
Show SMILES Oc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1
Show InChI InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H
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Article
PubMed
n/an/a 5.64E+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
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50187657
PNG
(3,6-dihydroxy-2-phenyl-4H-chromen-4-one | 3,6-dihy...)
Show SMILES Oc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1
Show InChI InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H
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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
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50187657
PNG
(3,6-dihydroxy-2-phenyl-4H-chromen-4-one | 3,6-dihy...)
Show SMILES Oc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1
Show InChI InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H
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Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



University of Chemistry and Technology Prague

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle microsomes SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 40 mins


J Med Chem 63: 1937-1963 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01509
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50187657
PNG
(3,6-dihydroxy-2-phenyl-4H-chromen-4-one | 3,6-dihy...)
Show SMILES Oc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1
Show InChI InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H
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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 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))
BDBM50187657
PNG
(3,6-dihydroxy-2-phenyl-4H-chromen-4-one | 3,6-dihy...)
Show SMILES Oc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1
Show InChI InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H
PDB

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CHEMBL
PC cid
PC sid
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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-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