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BDBM87329 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenesulfonamide::4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzenesulfonamide::4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzenesulfonamide::4-(1,3-benzothiazol-2-ylthio)-3-nitrobenzene-1-sulfonamide::4-(1,3-benzothiazol-2-ylthio)-3-nitrobenzenesulfonamide::MLS000849941::SMR000455959::cid_2807234

SMILES: NS(=O)(=O)c1ccc(Sc2nc3ccccc3s2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=FQQSKNXUFHXMHW-UHFFFAOYSA-N

Data: 3 IC50

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 = 87329   
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
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87329
PNG
(4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Sc2nc3ccccc3s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O4S3/c14-23(19,20)8-5-6-12(10(7-8)16(17)18)22-13-15-9-3-1-2-4-11(9)21-13/h1-7H,(H2,14,19,20)
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PCBioAssay
n/an/a 1.54E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87329
PNG
(4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Sc2nc3ccccc3s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O4S3/c14-23(19,20)8-5-6-12(10(7-8)16(17)18)22-13-15-9-3-1-2-4-11(9)21-13/h1-7H,(H2,14,19,20)
PDB
MMDB

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PCBioAssay
n/an/a>3.59E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.007
BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87329
PNG
(4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Sc2nc3ccccc3s2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O4S3/c14-23(19,20)8-5-6-12(10(7-8)16(17)18)22-13-15-9-3-1-2-4-11(9)21-13/h1-7H,(H2,14,19,20)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 7.26E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.005
BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair