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SMILES: Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1

InChI Key: InChIKey=DLMOVPAUHQQYHA-UHFFFAOYSA-N

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 8 hits for monomerid = 43766   
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
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM43766
PNG
(5,7-bis(oxidanyl)-2-(1-oxidanyl-4-oxidanylidene-cy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|
Show InChI InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
PDB
MMDB

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UniChem

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n/an/an/an/a>1.84E+3n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CV4G4R
More data for this
Ligand-Target Pair
G2/mitotic-specific cyclin-B1


(Homo sapiens (Human))
BDBM43766
PNG
(5,7-bis(oxidanyl)-2-(1-oxidanyl-4-oxidanylidene-cy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|
Show InChI InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
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n/an/an/an/a>1.84E+3n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2833QDB
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM43766
PNG
(5,7-bis(oxidanyl)-2-(1-oxidanyl-4-oxidanylidene-cy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|
Show InChI InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
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n/an/an/an/a 4.28E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Glutathione S-transferase omega-1


(Homo sapiens (Human))
BDBM43766
PNG
(5,7-bis(oxidanyl)-2-(1-oxidanyl-4-oxidanylidene-cy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|
Show InChI InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by 4-NPG substrate based assay


J Med Chem 61: 7448-7470 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00318
BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM43766
PNG
(5,7-bis(oxidanyl)-2-(1-oxidanyl-4-oxidanylidene-cy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|
Show InChI InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
KEGG

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antibodypedia
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n/an/an/an/a>1.20E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM43766
PNG
(5,7-bis(oxidanyl)-2-(1-oxidanyl-4-oxidanylidene-cy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|
Show InChI InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
KEGG

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antibodypedia
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n/an/a 3.77E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM43766
PNG
(5,7-bis(oxidanyl)-2-(1-oxidanyl-4-oxidanylidene-cy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|
Show InChI InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 2.47E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM43766
PNG
(5,7-bis(oxidanyl)-2-(1-oxidanyl-4-oxidanylidene-cy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|
Show InChI InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 2.47E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair