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SMILES: CC1=C(C([C-](C#N)C(=[NH2+])O1)c1cccnc1)n1nnc(n1)[N+]([O-])=O

InChI Key: InChIKey=AHMVJOCHLCVVMZ-UHFFFAOYSA-O

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 = 81055   
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 1-dehydrogenase


(Homo sapiens (Human))
BDBM81055
PNG
(2-amino-5-{5-nitro-2H-tetraazol-2-yl}-6-methyl-4-p...)
Show SMILES CC1=C(C([C-](C#N)C(=[NH2+])O1)c1cccnc1)n1nnc(n1)[N+]([O-])=O |t:1|
Show InChI InChI=1S/C13H9N8O3/c1-7-11(20-18-13(17-19-20)21(22)23)10(8-3-2-4-16-6-8)9(5-14)12(15)24-7/h2-4,6,10,15H,1H3/q-1/p+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.50E+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)
BDBM81055
PNG
(2-amino-5-{5-nitro-2H-tetraazol-2-yl}-6-methyl-4-p...)
Show SMILES CC1=C(C([C-](C#N)C(=[NH2+])O1)c1cccnc1)n1nnc(n1)[N+]([O-])=O |t:1|
Show InChI InChI=1S/C13H9N8O3/c1-7-11(20-18-13(17-19-20)21(22)23)10(8-3-2-4-16-6-8)9(5-14)12(15)24-7/h2-4,6,10,15H,1H3/q-1/p+1
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
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81055
PNG
(2-amino-5-{5-nitro-2H-tetraazol-2-yl}-6-methyl-4-p...)
Show SMILES CC1=C(C([C-](C#N)C(=[NH2+])O1)c1cccnc1)n1nnc(n1)[N+]([O-])=O |t:1|
Show InChI InChI=1S/C13H9N8O3/c1-7-11(20-18-13(17-19-20)21(22)23)10(8-3-2-4-16-6-8)9(5-14)12(15)24-7/h2-4,6,10,15H,1H3/q-1/p+1
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
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81055
PNG
(2-amino-5-{5-nitro-2H-tetraazol-2-yl}-6-methyl-4-p...)
Show SMILES CC1=C(C([C-](C#N)C(=[NH2+])O1)c1cccnc1)n1nnc(n1)[N+]([O-])=O |t:1|
Show InChI InChI=1S/C13H9N8O3/c1-7-11(20-18-13(17-19-20)21(22)23)10(8-3-2-4-16-6-8)9(5-14)12(15)24-7/h2-4,6,10,15H,1H3/q-1/p+1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.02E+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