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SMILES: COc1cccc2nc3cc(C)c(C)cc3nc12

InChI Key: InChIKey=APDKMOCVRREHQC-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 7 hits for monomerid = 81111   
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)
BDBM81111
PNG
(1-methoxy-7,8-dimethyl-phenazine | 1-methoxy-7,8-d...)
Show SMILES COc1cccc2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C15H14N2O/c1-9-7-12-13(8-10(9)2)17-15-11(16-12)5-4-6-14(15)18-3/h4-8H,1-3H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.69E+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 1-dehydrogenase


(Homo sapiens (Human))
BDBM81111
PNG
(1-methoxy-7,8-dimethyl-phenazine | 1-methoxy-7,8-d...)
Show SMILES COc1cccc2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C15H14N2O/c1-9-7-12-13(8-10(9)2)17-15-11(16-12)5-4-6-14(15)18-3/h4-8H,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.71E+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
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81111
PNG
(1-methoxy-7,8-dimethyl-phenazine | 1-methoxy-7,8-d...)
Show SMILES COc1cccc2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C15H14N2O/c1-9-7-12-13(8-10(9)2)17-15-11(16-12)5-4-6-14(15)18-3/h4-8H,1-3H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM81111
PNG
(1-methoxy-7,8-dimethyl-phenazine | 1-methoxy-7,8-d...)
Show SMILES COc1cccc2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C15H14N2O/c1-9-7-12-13(8-10(9)2)17-15-11(16-12)5-4-6-14(15)18-3/h4-8H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.17E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM81111
PNG
(1-methoxy-7,8-dimethyl-phenazine | 1-methoxy-7,8-d...)
Show SMILES COc1cccc2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C15H14N2O/c1-9-7-12-13(8-10(9)2)17-15-11(16-12)5-4-6-14(15)18-3/h4-8H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM81111
PNG
(1-methoxy-7,8-dimethyl-phenazine | 1-methoxy-7,8-d...)
Show SMILES COc1cccc2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C15H14N2O/c1-9-7-12-13(8-10(9)2)17-15-11(16-12)5-4-6-14(15)18-3/h4-8H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81111
PNG
(1-methoxy-7,8-dimethyl-phenazine | 1-methoxy-7,8-d...)
Show SMILES COc1cccc2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C15H14N2O/c1-9-7-12-13(8-10(9)2)17-15-11(16-12)5-4-6-14(15)18-3/h4-8H,1-3H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair