BindingDB logo
myBDB logout

BDBM34827 2-(2,5-dinitro-3-thienyl)pyrimidine::2-(2,5-dinitro-3-thiophenyl)pyrimidine::2-(2,5-dinitrothiophen-3-yl)pyrimidine::2-{2,5-bisnitro-3-thienyl}pyrimidine::MLS000700336::SMR000226688::cid_3319616

SMILES: [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1

InChI Key: InChIKey=JHHSYNZURGGRBL-UHFFFAOYSA-N

Data: 6 IC50  2 EC50

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 = 34827   
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
MPI protein


(Homo sapiens (Human))
BDBM34827
PNG
(2-(2,5-dinitro-3-thienyl)pyrimidine | 2-(2,5-dinit...)
Show SMILES [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Show InChI InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.48E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM34827
PNG
(2-(2,5-dinitro-3-thienyl)pyrimidine | 2-(2,5-dinit...)
Show SMILES [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Show InChI InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2D21W05
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM34827
PNG
(2-(2,5-dinitro-3-thienyl)pyrimidine | 2-(2,5-dinit...)
Show SMILES [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Show InChI InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provid...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W094B7
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM34827
PNG
(2-(2,5-dinitro-3-thienyl)pyrimidine | 2-(2,5-dinit...)
Show SMILES [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Show InChI InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 2.40E+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: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM34827
PNG
(2-(2,5-dinitro-3-thienyl)pyrimidine | 2-(2,5-dinit...)
Show SMILES [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Show InChI InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 6.92E+3n/an/an/an/an/an/a



Sanford-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 (2009)


Article DOI: 10.1021/cb4002552
BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM34827
PNG
(2-(2,5-dinitro-3-thienyl)pyrimidine | 2-(2,5-dinit...)
Show SMILES [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Show InChI InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.64E+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: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM34827
PNG
(2-(2,5-dinitro-3-thienyl)pyrimidine | 2-(2,5-dinit...)
Show SMILES [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Show InChI InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.66E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens (Human))
BDBM34827
PNG
(2-(2,5-dinitro-3-thienyl)pyrimidine | 2-(2,5-dinit...)
Show SMILES [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
Show InChI InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a 7.57E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...


PubChem Bioassay (2010)


Article DOI: 10.1021/cb4000629
BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair