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SMILES: COC(=O)c1ccc(CSc2ncnc3c4ccccc4oc23)o1

InChI Key: InChIKey=HLJBBSFRHXZAEB-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 3 hits for monomerid = 40311   
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
Mothers against decapentaplegic homolog 3


(Homo sapiens (Human))
BDBM40311
PNG
(5-[(4-benzofuro[3,2-d]pyrimidinylthio)methyl]-2-fu...)
Show SMILES COC(=O)c1ccc(CSc2ncnc3c4ccccc4oc23)o1
Show InChI InChI=1S/C17H12N2O4S/c1-21-17(20)13-7-6-10(22-13)8-24-16-15-14(18-9-19-16)11-4-2-3-5-12(11)23-15/h2-7,9H,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.47E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2G44NQ4
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM40311
PNG
(5-[(4-benzofuro[3,2-d]pyrimidinylthio)methyl]-2-fu...)
Show SMILES COC(=O)c1ccc(CSc2ncnc3c4ccccc4oc23)o1
Show InChI InChI=1S/C17H12N2O4S/c1-21-17(20)13-7-6-10(22-13)8-24-16-15-14(18-9-19-16)11-4-2-3-5-12(11)23-15/h2-7,9H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.60E+5n/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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM40311
PNG
(5-[(4-benzofuro[3,2-d]pyrimidinylthio)methyl]-2-fu...)
Show SMILES COC(=O)c1ccc(CSc2ncnc3c4ccccc4oc23)o1
Show InChI InChI=1S/C17H12N2O4S/c1-21-17(20)13-7-6-10(22-13)8-24-16-15-14(18-9-19-16)11-4-2-3-5-12(11)23-15/h2-7,9H,8H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 57.8n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair