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SMILES: Cc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c(C)c1

InChI Key: InChIKey=YKKZJHWXDWCMIW-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 = 54241   
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))
BDBM54241
PNG
(MLS000585864 | N-(2,4-dimethylphenyl)-9,10-bis(oxi...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c(C)c1
Show InChI InChI=1S/C22H17NO4S/c1-13-7-10-20(14(2)11-13)23-28(26,27)15-8-9-18-19(12-15)22(25)17-6-4-3-5-16(17)21(18)24/h3-12,23H,1-2H3
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n/an/a 6.68E+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
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM54241
PNG
(MLS000585864 | N-(2,4-dimethylphenyl)-9,10-bis(oxi...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c(C)c1
Show InChI InChI=1S/C22H17NO4S/c1-13-7-10-20(14(2)11-13)23-28(26,27)15-8-9-18-19(12-15)22(25)17-6-4-3-5-16(17)21(18)24/h3-12,23H,1-2H3
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n/an/an/an/a 6.34E+3n/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
Mitochondrial peptide methionine sulfoxide reductase


(Bos taurus)
BDBM54241
PNG
(MLS000585864 | N-(2,4-dimethylphenyl)-9,10-bis(oxi...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c(C)c1
Show InChI InChI=1S/C22H17NO4S/c1-13-7-10-20(14(2)11-13)23-28(26,27)15-8-9-18-19(12-15)22(25)17-6-4-3-5-16(17)21(18)24/h3-12,23H,1-2H3
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n/an/a>1.55E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair
Mitochondrial peptide methionine sulfoxide reductase


(Bos taurus)
BDBM54241
PNG
(MLS000585864 | N-(2,4-dimethylphenyl)-9,10-bis(oxi...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c(C)c1
Show InChI InChI=1S/C22H17NO4S/c1-13-7-10-20(14(2)11-13)23-28(26,27)15-8-9-18-19(12-15)22(25)17-6-4-3-5-16(17)21(18)24/h3-12,23H,1-2H3
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n/an/an/an/a>1.04E+5n/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)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54241
PNG
(MLS000585864 | N-(2,4-dimethylphenyl)-9,10-bis(oxi...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c(C)c1
Show InChI InChI=1S/C22H17NO4S/c1-13-7-10-20(14(2)11-13)23-28(26,27)15-8-9-18-19(12-15)22(25)17-6-4-3-5-16(17)21(18)24/h3-12,23H,1-2H3
PDB
MMDB

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n/an/a 7.68E+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