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BDBM44451 MLS000043622::N-(2-oxidanylidene-1,3-benzoxathiol-5-yl)-N-(phenylsulfonyl)ethanamide::N-(2-oxo-1,3-benzoxathiol-5-yl)-N-(phenylsulfonyl)acetamide::N-(benzenesulfonyl)-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide::N-besyl-N-(2-keto-1,3-benzoxathiol-5-yl)acetamide::SMR000020638::cid_3244786

SMILES: CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=ZIOCMHSLQAMVDY-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 44451   
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
Eph receptor A4


(Mus musculus)
BDBM44451
PNG
(MLS000043622 | N-(2-oxidanylidene-1,3-benzoxathiol...)
Show SMILES CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11NO5S2/c1-10(17)16(23(19,20)12-5-3-2-4-6-12)11-7-8-13-14(9-11)22-15(18)21-13/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM44451
PNG
(MLS000043622 | N-(2-oxidanylidene-1,3-benzoxathiol...)
Show SMILES CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11NO5S2/c1-10(17)16(23(19,20)12-5-3-2-4-6-12)11-7-8-13-14(9-11)22-15(18)21-13/h2-9H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair
phosphomannomutase 2


(Homo sapiens (Human))
BDBM44451
PNG
(MLS000043622 | N-(2-oxidanylidene-1,3-benzoxathiol...)
Show SMILES CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11NO5S2/c1-10(17)16(23(19,20)12-5-3-2-4-6-12)11-7-8-13-14(9-11)22-15(18)21-13/h2-9H,1H3
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM44451
PNG
(MLS000043622 | N-(2-oxidanylidene-1,3-benzoxathiol...)
Show SMILES CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11NO5S2/c1-10(17)16(23(19,20)12-5-3-2-4-6-12)11-7-8-13-14(9-11)22-15(18)21-13/h2-9H,1H3
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n/an/an/an/a 3.68E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44451
PNG
(MLS000043622 | N-(2-oxidanylidene-1,3-benzoxathiol...)
Show SMILES CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11NO5S2/c1-10(17)16(23(19,20)12-5-3-2-4-6-12)11-7-8-13-14(9-11)22-15(18)21-13/h2-9H,1H3
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Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM44451
PNG
(MLS000043622 | N-(2-oxidanylidene-1,3-benzoxathiol...)
Show SMILES CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11NO5S2/c1-10(17)16(23(19,20)12-5-3-2-4-6-12)11-7-8-13-14(9-11)22-15(18)21-13/h2-9H,1H3
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n/an/a 3.03E+4n/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