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BDBM63207 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-N-phenyl-4-triazolimine::2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-N-phenyltriazol-4-imine::2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxidanyl-N-phenyl-1,2,3-triazol-4-imine::2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N-phenyl-2H-1,2,3-triazol-4-amine 3-oxide::MLS000583076::SMR000206262::[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]-phenyl-amine::cid_12005206

SMILES: On1n(nc([N+]([O-])=O)\c1=N\c1ccccc1)-c1ccc2OCCOc2c1

InChI Key: InChIKey=GCOAGOGHZSWKLF-ICFOKQHNSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 63207   
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
Hsf1 protein


(Mus musculus)
BDBM63207
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-n...)
Show SMILES On1n(nc([N+]([O-])=O)\c1=N\c1ccccc1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H13N5O5/c22-20-15(17-11-4-2-1-3-5-11)16(21(23)24)18-19(20)12-6-7-13-14(10-12)26-9-8-25-13/h1-7,10,22H,8-9H2/b17-15-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a<160n/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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM63207
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-n...)
Show SMILES On1n(nc([N+]([O-])=O)\c1=N\c1ccccc1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H13N5O5/c22-20-15(17-11-4-2-1-3-5-11)16(21(23)24)18-19(20)12-6-7-13-14(10-12)26-9-8-25-13/h1-7,10,22H,8-9H2/b17-15-
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 1.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM63207
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-n...)
Show SMILES On1n(nc([N+]([O-])=O)\c1=N\c1ccccc1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H13N5O5/c22-20-15(17-11-4-2-1-3-5-11)16(21(23)24)18-19(20)12-6-7-13-14(10-12)26-9-8-25-13/h1-7,10,22H,8-9H2/b17-15-
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 812n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.007
BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM63207
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-n...)
Show SMILES On1n(nc([N+]([O-])=O)\c1=N\c1ccccc1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H13N5O5/c22-20-15(17-11-4-2-1-3-5-11)16(21(23)24)18-19(20)12-6-7-13-14(10-12)26-9-8-25-13/h1-7,10,22H,8-9H2/b17-15-
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 9.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.005
BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair