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SMILES: CCOc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1

InChI Key: InChIKey=BESWLCDPXSVTTF-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 4 hits for monomerid = 64783   
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
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit


(Homo sapiens (Human))
BDBM64783
PNG
(1-(2,1,3-benzothiadiazol-5-yl)-3-(4-ethoxyphenyl)t...)
Show SMILES CCOc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
Show InChI InChI=1S/C15H14N4OS2/c1-2-20-12-6-3-10(4-7-12)16-15(21)17-11-5-8-13-14(9-11)19-22-18-13/h3-9H,2H2,1H3,(H2,16,17,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.70E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM64783
PNG
(1-(2,1,3-benzothiadiazol-5-yl)-3-(4-ethoxyphenyl)t...)
Show SMILES CCOc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
Show InChI InChI=1S/C15H14N4OS2/c1-2-20-12-6-3-10(4-7-12)16-15(21)17-11-5-8-13-14(9-11)19-22-18-13/h3-9H,2H2,1H3,(H2,16,17,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.32E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM64783
PNG
(1-(2,1,3-benzothiadiazol-5-yl)-3-(4-ethoxyphenyl)t...)
Show SMILES CCOc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
Show InChI InChI=1S/C15H14N4OS2/c1-2-20-12-6-3-10(4-7-12)16-15(21)17-11-5-8-13-14(9-11)19-22-18-13/h3-9H,2H2,1H3,(H2,16,17,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.32E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Homo sapiens (Human))
BDBM64783
PNG
(1-(2,1,3-benzothiadiazol-5-yl)-3-(4-ethoxyphenyl)t...)
Show SMILES CCOc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
Show InChI InChI=1S/C15H14N4OS2/c1-2-20-12-6-3-10(4-7-12)16-15(21)17-11-5-8-13-14(9-11)19-22-18-13/h3-9H,2H2,1H3,(H2,16,17,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.78E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair