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BDBM54292 MLS000856485::N-(2-oxolanylmethyl)-4-[4-(2-oxolanylmethylsulfamoyl)phenyl]benzenesulfonamide::N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide::N-(tetrahydrofurfuryl)-4-[4-(tetrahydrofurfurylsulfamoyl)phenyl]benzenesulfonamide::SMR000274842::cid_2932806

SMILES: O=S(=O)(NCC1CCCO1)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1

InChI Key: InChIKey=XTBFFGIYYRJDIR-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 = 54292   
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))
BDBM54292
PNG
(MLS000856485 | N-(2-oxolanylmethyl)-4-[4-(2-oxolan...)
Show SMILES O=S(=O)(NCC1CCCO1)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C22H28N2O6S2/c25-31(26,23-15-19-3-1-13-29-19)21-9-5-17(6-10-21)18-7-11-22(12-8-18)32(27,28)24-16-20-4-2-14-30-20/h5-12,19-20,23-24H,1-4,13-16H2
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n/an/a 9.07E+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))
BDBM54292
PNG
(MLS000856485 | N-(2-oxolanylmethyl)-4-[4-(2-oxolan...)
Show SMILES O=S(=O)(NCC1CCCO1)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C22H28N2O6S2/c25-31(26,23-15-19-3-1-13-29-19)21-9-5-17(6-10-21)18-7-11-22(12-8-18)32(27,28)24-16-20-4-2-14-30-20/h5-12,19-20,23-24H,1-4,13-16H2
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n/an/an/an/a 1.65E+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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM54292
PNG
(MLS000856485 | N-(2-oxolanylmethyl)-4-[4-(2-oxolan...)
Show SMILES O=S(=O)(NCC1CCCO1)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C22H28N2O6S2/c25-31(26,23-15-19-3-1-13-29-19)21-9-5-17(6-10-21)18-7-11-22(12-8-18)32(27,28)24-16-20-4-2-14-30-20/h5-12,19-20,23-24H,1-4,13-16H2
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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))
BDBM54292
PNG
(MLS000856485 | N-(2-oxolanylmethyl)-4-[4-(2-oxolan...)
Show SMILES O=S(=O)(NCC1CCCO1)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C22H28N2O6S2/c25-31(26,23-15-19-3-1-13-29-19)21-9-5-17(6-10-21)18-7-11-22(12-8-18)32(27,28)24-16-20-4-2-14-30-20/h5-12,19-20,23-24H,1-4,13-16H2
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n/an/a 2.02E+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))
BDBM54292
PNG
(MLS000856485 | N-(2-oxolanylmethyl)-4-[4-(2-oxolan...)
Show SMILES O=S(=O)(NCC1CCCO1)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C22H28N2O6S2/c25-31(26,23-15-19-3-1-13-29-19)21-9-5-17(6-10-21)18-7-11-22(12-8-18)32(27,28)24-16-20-4-2-14-30-20/h5-12,19-20,23-24H,1-4,13-16H2
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n/an/a 5.37E+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