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SMILES: CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)ccc1Cl

InChI Key: InChIKey=WVGHXNLCEMICDU-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 4 hits for monomerid = 54279   
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))
BDBM54279
PNG
(MLS000394779 | N-[4-chloranyl-3-(dimethylsulfamoyl...)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)ccc1Cl
Show InChI InChI=1S/C18H16Cl2N4O3S4/c1-23(2)31(26,27)15-9-12(5-8-14(15)20)21-16(25)10-29-17-22-24(18(28)30-17)13-6-3-11(19)4-7-13/h3-9H,10H2,1-2H3,(H,21,25)
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PCBioAssay
n/an/a 4.69E+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
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)
BDBM54279
PNG
(MLS000394779 | N-[4-chloranyl-3-(dimethylsulfamoyl...)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)ccc1Cl
Show InChI InChI=1S/C18H16Cl2N4O3S4/c1-23(2)31(26,27)15-9-12(5-8-14(15)20)21-16(25)10-29-17-22-24(18(28)30-17)13-6-3-11(19)4-7-13/h3-9H,10H2,1-2H3,(H,21,25)
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n/an/an/an/a>5.97E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54279
PNG
(MLS000394779 | N-[4-chloranyl-3-(dimethylsulfamoyl...)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)ccc1Cl
Show InChI InChI=1S/C18H16Cl2N4O3S4/c1-23(2)31(26,27)15-9-12(5-8-14(15)20)21-16(25)10-29-17-22-24(18(28)30-17)13-6-3-11(19)4-7-13/h3-9H,10H2,1-2H3,(H,21,25)
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n/an/a 5.23E+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))
BDBM54279
PNG
(MLS000394779 | N-[4-chloranyl-3-(dimethylsulfamoyl...)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)ccc1Cl
Show InChI InChI=1S/C18H16Cl2N4O3S4/c1-23(2)31(26,27)15-9-12(5-8-14(15)20)21-16(25)10-29-17-22-24(18(28)30-17)13-6-3-11(19)4-7-13/h3-9H,10H2,1-2H3,(H,21,25)
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n/an/an/an/a 1.34E+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