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BDBM46338 2-[1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-piperidin-4-yl]-benzothiazole::2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-1,3-benzothiazole::2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-1,3-benzothiazole::2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-1,3-benzothiazole::MLS000073837::SMR000007058::cid_651062

SMILES: O=S(=O)(N1CCC(CC1)c1nc2ccccc2s1)c1ccc2OCCOc2c1

InChI Key: InChIKey=GEMOCDSTDIAJGI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 46338   
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
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM46338
PNG
(2-[1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-pi...)
Show SMILES O=S(=O)(N1CCC(CC1)c1nc2ccccc2s1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H20N2O4S2/c23-28(24,15-5-6-17-18(13-15)26-12-11-25-17)22-9-7-14(8-10-22)20-21-16-3-1-2-4-19(16)27-20/h1-6,13-14H,7-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.57E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM46338
PNG
(2-[1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-pi...)
Show SMILES O=S(=O)(N1CCC(CC1)c1nc2ccccc2s1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H20N2O4S2/c23-28(24,15-5-6-17-18(13-15)26-12-11-25-17)22-9-7-14(8-10-22)20-21-16-3-1-2-4-19(16)27-20/h1-6,13-14H,7-12H2
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.73E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair