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BDBM54526 MLS001159274::N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide::N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidinosulfonylanilino)acetamide::N-[3-(diethylsulfamoyl)phenyl]-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethanamide::N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-pyrrolidinylsulfonyl)anilino]acetamide::SMR000711841::cid_24818244

SMILES: CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1

InChI Key: InChIKey=CMBONPJLQVAPQD-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 = 54526   
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 2


(Homo sapiens (Human))
BDBM54526
PNG
(MLS001159274 | N-[3-(diethylsulfamoyl)phenyl]-2-(3...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1
Show InChI InChI=1S/C22H30N4O5S2/c1-3-25(4-2)32(28,29)21-12-8-10-19(16-21)24-22(27)17-23-18-9-7-11-20(15-18)33(30,31)26-13-5-6-14-26/h7-12,15-16,23H,3-6,13-14,17H2,1-2H3,(H,24,27)
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n/an/a 3.47E+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 1


(Homo sapiens (Human))
BDBM54526
PNG
(MLS001159274 | N-[3-(diethylsulfamoyl)phenyl]-2-(3...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1
Show InChI InChI=1S/C22H30N4O5S2/c1-3-25(4-2)32(28,29)21-12-8-10-19(16-21)24-22(27)17-23-18-9-7-11-20(15-18)33(30,31)26-13-5-6-14-26/h7-12,15-16,23H,3-6,13-14,17H2,1-2H3,(H,24,27)
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n/an/an/an/a 560n/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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM54526
PNG
(MLS001159274 | N-[3-(diethylsulfamoyl)phenyl]-2-(3...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1
Show InChI InChI=1S/C22H30N4O5S2/c1-3-25(4-2)32(28,29)21-12-8-10-19(16-21)24-22(27)17-23-18-9-7-11-20(15-18)33(30,31)26-13-5-6-14-26/h7-12,15-16,23H,3-6,13-14,17H2,1-2H3,(H,24,27)
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n/an/a 8.54E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM54526
PNG
(MLS001159274 | N-[3-(diethylsulfamoyl)phenyl]-2-(3...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1
Show InChI InChI=1S/C22H30N4O5S2/c1-3-25(4-2)32(28,29)21-12-8-10-19(16-21)24-22(27)17-23-18-9-7-11-20(15-18)33(30,31)26-13-5-6-14-26/h7-12,15-16,23H,3-6,13-14,17H2,1-2H3,(H,24,27)
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n/an/a 3.33E+3n/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/Q21Z431S
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54526
PNG
(MLS001159274 | N-[3-(diethylsulfamoyl)phenyl]-2-(3...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1
Show InChI InChI=1S/C22H30N4O5S2/c1-3-25(4-2)32(28,29)21-12-8-10-19(16-21)24-22(27)17-23-18-9-7-11-20(15-18)33(30,31)26-13-5-6-14-26/h7-12,15-16,23H,3-6,13-14,17H2,1-2H3,(H,24,27)
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n/an/a 2.55E+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