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SMILES: Oc1ccc(cc1)-c1nc2c[nH]ccn2c1=Nc1ccc2OCCOc2c1

InChI Key: InChIKey=GREHSFCUYFBQPL-XDOYNYLZSA-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 2 hits for monomerid = 60399   
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
Heat shock factor protein 1


(Mus musculus)
BDBM60399
PNG
(4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-1,7-d...)
Show SMILES Oc1ccc(cc1)-c1nc2c[nH]ccn2c1=Nc1ccc2OCCOc2c1 |w:16.19|
Show InChI InChI=1S/C20H16N4O3/c25-15-4-1-13(2-5-15)19-20(24-8-7-21-12-18(24)23-19)22-14-3-6-16-17(11-14)27-10-9-26-16/h1-8,11-12,21,25H,9-10H2/b22-20-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.10E+4n/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
Large T antigen


(Simian virus 40)
BDBM60399
PNG
(4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-1,7-d...)
Show SMILES Oc1ccc(cc1)-c1nc2c[nH]ccn2c1=Nc1ccc2OCCOc2c1 |w:16.19|
Show InChI InChI=1S/C20H16N4O3/c25-15-4-1-13(2-5-15)19-20(24-8-7-21-12-18(24)23-19)22-14-3-6-16-17(11-14)27-10-9-26-16/h1-8,11-12,21,25H,9-10H2/b22-20-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.14E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair