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BDBM61867 2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chromen-4-one::5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one::5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one::5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromone::MLS000736839::SMR000528344::cid_96506

SMILES: Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1

InChI Key: InChIKey=SPZXXUUDYMHBSG-UHFFFAOYSA-N

Data: 1 KI  8 IC50  4 EC50

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 13 hits for monomerid = 61867   
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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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1.29E+3n/an/an/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Competitive inhibition of PFKFB3 (unknown origin) using fructose 6-phosphate as substrate


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/an/an/a 8.10E+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 (2010)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/an/an/a 5.96E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2SJ1J25
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/an/an/a 4.34E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2J101NV
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/an/an/a 7.19E+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 (2010)


Article DOI: 10.1016/j.bmcl.2014.03.015
BindingDB Entry DOI: 10.7270/Q2J38R0R
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/a 2.97E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PFKFB3 (unknown origin)


Bioorg Med Chem 22: 1029-39 (2014)


Article DOI: 10.1016/j.bmc.2013.12.041
BindingDB Entry DOI: 10.7270/Q2TB18C4
More data for this
Ligand-Target Pair
TCRAV4S1


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/a>9.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2WQ02FK
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/a>9.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/a 5.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/a 341n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/a 1.88E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/a>1.50E+5n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
The inhibitory against activated CDK2-cyclin A2 complex was determined by using the ADP Quest fluorescence assay from (DiscoveRX, Fremont, CA)


Chembiochem 13: 2128-36 (2012)


Article DOI: 10.1002/cbic.201200316
BindingDB Entry DOI: 10.7270/Q2154FN2
More data for this
Ligand-Target Pair