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SMILES: [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(Br)cc1)c2=O

InChI Key: InChIKey=RBEISICSVBFJOH-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 4 hits for monomerid = 46637   
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
Eukaryotic translation initiation factor 4 gamma 1


(Homo sapiens (Human))
BDBM46637
PNG
(2-(4-bromophenyl)-4,6-dinitro-1,2-benzothiazol-3-o...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(Br)cc1)c2=O
Show InChI InChI=1S/C13H6BrN3O5S/c14-7-1-3-8(4-2-7)15-13(18)12-10(17(21)22)5-9(16(19)20)6-11(12)23-15/h1-6H
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PCBioAssay
n/an/a 8.14E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46637
PNG
(2-(4-bromophenyl)-4,6-dinitro-1,2-benzothiazol-3-o...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(Br)cc1)c2=O
Show InChI InChI=1S/C13H6BrN3O5S/c14-7-1-3-8(4-2-7)15-13(18)12-10(17(21)22)5-9(16(19)20)6-11(12)23-15/h1-6H
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n/an/a 1.22E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2J964TC
More data for this
Ligand-Target Pair
Phosphoethanolamine/phosphocholine phosphatase


(Homo sapiens (Human))
BDBM46637
PNG
(2-(4-bromophenyl)-4,6-dinitro-1,2-benzothiazol-3-o...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(Br)cc1)c2=O
Show InChI InChI=1S/C13H6BrN3O5S/c14-7-1-3-8(4-2-7)15-13(18)12-10(17(21)22)5-9(16(19)20)6-11(12)23-15/h1-6H
KEGG

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n/an/a 72.5n/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27S7M52
More data for this
Ligand-Target Pair
Phosphomannomutase 2


(Homo sapiens (Human))
BDBM46637
PNG
(2-(4-bromophenyl)-4,6-dinitro-1,2-benzothiazol-3-o...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(Br)cc1)c2=O
Show InChI InChI=1S/C13H6BrN3O5S/c14-7-1-3-8(4-2-7)15-13(18)12-10(17(21)22)5-9(16(19)20)6-11(12)23-15/h1-6H
PDB
MMDB

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n/an/a 1.08E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BWC
More data for this
Ligand-Target Pair