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BDBM63590 MLS000419595::N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-dioxin-5-carboxamide::N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide::N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-p-dioxin-5-carboxamide::SMR000320312::cid_7203047

SMILES: O=C(Nc1nc2cc3OCCOc3cc2s1)C1=COCCO1

InChI Key: InChIKey=GJYCIBJNVBRJSJ-UHFFFAOYSA-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 = 63590   
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)
BDBM63590
PNG
(MLS000419595 | N-(6,7-dihydro-[1,4]dioxino[2,3-f][...)
Show SMILES O=C(Nc1nc2cc3OCCOc3cc2s1)C1=COCCO1 |t:19|
Show InChI InChI=1S/C14H12N2O5S/c17-13(11-7-18-1-2-21-11)16-14-15-8-5-9-10(6-12(8)22-14)20-4-3-19-9/h5-7H,1-4H2,(H,15,16,17)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.74E+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: 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 1


(Homo sapiens (Human))
BDBM63590
PNG
(MLS000419595 | N-(6,7-dihydro-[1,4]dioxino[2,3-f][...)
Show SMILES O=C(Nc1nc2cc3OCCOc3cc2s1)C1=COCCO1 |t:19|
Show InChI InChI=1S/C14H12N2O5S/c17-13(11-7-18-1-2-21-11)16-14-15-8-5-9-10(6-12(8)22-14)20-4-3-19-9/h5-7H,1-4H2,(H,15,16,17)
PDB
MMDB

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UniChem

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PCBioAssay
n/an/a 1.05E+4n/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)


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...)
BDBM63590
PNG
(MLS000419595 | N-(6,7-dihydro-[1,4]dioxino[2,3-f][...)
Show SMILES O=C(Nc1nc2cc3OCCOc3cc2s1)C1=COCCO1 |t:19|
Show InChI InChI=1S/C14H12N2O5S/c17-13(11-7-18-1-2-21-11)16-14-15-8-5-9-10(6-12(8)22-14)20-4-3-19-9/h5-7H,1-4H2,(H,15,16,17)
MMDB

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UniChem

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PCBioAssay
n/an/a 7.78E+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)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM63590
PNG
(MLS000419595 | N-(6,7-dihydro-[1,4]dioxino[2,3-f][...)
Show SMILES O=C(Nc1nc2cc3OCCOc3cc2s1)C1=COCCO1 |t:19|
Show InChI InChI=1S/C14H12N2O5S/c17-13(11-7-18-1-2-21-11)16-14-15-8-5-9-10(6-12(8)22-14)20-4-3-19-9/h5-7H,1-4H2,(H,15,16,17)
Reactome pathway
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UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/a 1.31E+4n/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)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair