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SMILES: O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1

InChI Key: InChIKey=NFEJMHUFBXPEEZ-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 5 hits for monomerid = 34323   
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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34323
PNG
(MLS000081951 | N-(2-besyl-3,6-dihydrothiazin-1-yli...)
Show SMILES O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1 |c:6,t:4|
Show InChI InChI=1S/C16H16N2O4S3/c19-24(20,15-9-3-1-4-10-15)17-23-14-8-7-13-18(23)25(21,22)16-11-5-2-6-12-16/h1-12,14,17H,13H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.33E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM34323
PNG
(MLS000081951 | N-(2-besyl-3,6-dihydrothiazin-1-yli...)
Show SMILES O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1 |c:6,t:4|
Show InChI InChI=1S/C16H16N2O4S3/c19-24(20,15-9-3-1-4-10-15)17-23-14-8-7-13-18(23)25(21,22)16-11-5-2-6-12-16/h1-12,14,17H,13H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.39E+3n/an/an/an/a6.823



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q25T3HTJ
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM34323
PNG
(MLS000081951 | N-(2-besyl-3,6-dihydrothiazin-1-yli...)
Show SMILES O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1 |c:6,t:4|
Show InChI InChI=1S/C16H16N2O4S3/c19-24(20,15-9-3-1-4-10-15)17-23-14-8-7-13-18(23)25(21,22)16-11-5-2-6-12-16/h1-12,14,17H,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.32E+3n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2HQ3XD6
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM34323
PNG
(MLS000081951 | N-(2-besyl-3,6-dihydrothiazin-1-yli...)
Show SMILES O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1 |c:6,t:4|
Show InChI InChI=1S/C16H16N2O4S3/c19-24(20,15-9-3-1-4-10-15)17-23-14-8-7-13-18(23)25(21,22)16-11-5-2-6-12-16/h1-12,14,17H,13H2
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2WH2NDV
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM34323
PNG
(MLS000081951 | N-(2-besyl-3,6-dihydrothiazin-1-yli...)
Show SMILES O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1 |c:6,t:4|
Show InChI InChI=1S/C16H16N2O4S3/c19-24(20,15-9-3-1-4-10-15)17-23-14-8-7-13-18(23)25(21,22)16-11-5-2-6-12-16/h1-12,14,17H,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.39E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2C53J7N
More data for this
Ligand-Target Pair