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SMILES: CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc2ccccc2o1

InChI Key: InChIKey=WPLDGUKQKSYDCD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 54278   
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
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM54278
PNG
(MLS000374450 | N-[4-(1-benzofuran-2-yl)-1,3-thiazo...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc2ccccc2o1
Show InChI InChI=1S/C20H17N3O4S2/c1-23(2)29(25,26)15-9-7-13(8-10-15)19(24)22-20-21-16(12-28-20)18-11-14-5-3-4-6-17(14)27-18/h3-12H,1-2H3,(H,21,22,24)
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PC sid
UniChem

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PCBioAssay
n/an/a 2.86E+3n/an/an/an/an/an/a



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 (2010)


BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54278
PNG
(MLS000374450 | N-[4-(1-benzofuran-2-yl)-1,3-thiazo...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc2ccccc2o1
Show InChI InChI=1S/C20H17N3O4S2/c1-23(2)29(25,26)15-9-7-13(8-10-15)19(24)22-20-21-16(12-28-20)18-11-14-5-3-4-6-17(14)27-18/h3-12H,1-2H3,(H,21,22,24)
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PCBioAssay
n/an/a 3.09E+3n/an/an/an/an/an/a



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 (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM54278
PNG
(MLS000374450 | N-[4-(1-benzofuran-2-yl)-1,3-thiazo...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc2ccccc2o1
Show InChI InChI=1S/C20H17N3O4S2/c1-23(2)29(25,26)15-9-7-13(8-10-15)19(24)22-20-21-16(12-28-20)18-11-14-5-3-4-6-17(14)27-18/h3-12H,1-2H3,(H,21,22,24)
PDB
MMDB

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antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a 2.00E+4n/an/an/an/a



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 (2010)


BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair