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BDBM81112 2,5-bis(1-pyrazolyl)benzene-1,4-diol::2,5-di(pyrazol-1-yl)benzene-1,4-diol::2,5-di(pyrazol-1-yl)hydroquinone::MLS000756826::SMR000529087::cid_371593

SMILES: Oc1cc(c(O)cc1-n1cccn1)-n1cccn1

InChI Key: InChIKey=NEKFXNXCGBONEV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 81112   
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
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81112
PNG
(2,5-bis(1-pyrazolyl)benzene-1,4-diol | 2,5-di(pyra...)
Show SMILES Oc1cc(c(O)cc1-n1cccn1)-n1cccn1
Show InChI InChI=1S/C12H10N4O2/c17-11-8-10(16-6-2-4-14-16)12(18)7-9(11)15-5-1-3-13-15/h1-8,17-18H
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.03E+3n/an/an/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81112
PNG
(2,5-bis(1-pyrazolyl)benzene-1,4-diol | 2,5-di(pyra...)
Show SMILES Oc1cc(c(O)cc1-n1cccn1)-n1cccn1
Show InChI InChI=1S/C12H10N4O2/c17-11-8-10(16-6-2-4-14-16)12(18)7-9(11)15-5-1-3-13-15/h1-8,17-18H
GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 6.88E+4n/an/an/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 CA...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.07.001
BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81112
PNG
(2,5-bis(1-pyrazolyl)benzene-1,4-diol | 2,5-di(pyra...)
Show SMILES Oc1cc(c(O)cc1-n1cccn1)-n1cccn1
Show InChI InChI=1S/C12H10N4O2/c17-11-8-10(16-6-2-4-14-16)12(18)7-9(11)15-5-1-3-13-15/h1-8,17-18H
GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>8.00E+4n/an/an/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 CA...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.06.006
BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM81112
PNG
(2,5-bis(1-pyrazolyl)benzene-1,4-diol | 2,5-di(pyra...)
Show SMILES Oc1cc(c(O)cc1-n1cccn1)-n1cccn1
Show InChI InChI=1S/C12H10N4O2/c17-11-8-10(16-6-2-4-14-16)12(18)7-9(11)15-5-1-3-13-15/h1-8,17-18H
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.30E+4n/an/an/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair