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BDBM64835 3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide::3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]propionamide::MLS-0375400.0001::cid_24818406

SMILES: Cc1ccc(C)c(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c1

InChI Key: InChIKey=DXBHRMPYSRMDHQ-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 64835   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM64835
PNG
(3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)et...)
Show SMILES Cc1ccc(C)c(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C19H24N2O4S/c1-14-3-4-15(2)18(13-14)25-12-10-19(22)21-11-9-16-5-7-17(8-6-16)26(20,23)24/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H2,20,23,24)
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PC sid
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PCBioAssay
n/an/a>3.20E+4n/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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)
BDBM64835
PNG
(3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)et...)
Show SMILES Cc1ccc(C)c(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C19H24N2O4S/c1-14-3-4-15(2)18(13-14)25-12-10-19(22)21-11-9-16-5-7-17(8-6-16)26(20,23)24/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H2,20,23,24)
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n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM64835
PNG
(3-(2,5-dimethylphenoxy)-N-[2-(4-sulfamoylphenyl)et...)
Show SMILES Cc1ccc(C)c(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C19H24N2O4S/c1-14-3-4-15(2)18(13-14)25-12-10-19(22)21-11-9-16-5-7-17(8-6-16)26(20,23)24/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H2,20,23,24)
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>3.20E+4n/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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F47MKR
More data for this
Ligand-Target Pair