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BDBM54520 MLS001072146::N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]pyridine-4-carboxamide::N-[4-(2-ethylpiperidino)sulfonylphenyl]isonicotinamide::N-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-4-pyridinecarboxamide::SMR000671409::cid_6470627

SMILES: CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1

InChI Key: InChIKey=LVZQSNFYWLTGSV-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 = 54520   
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))
BDBM54520
PNG
(MLS001072146 | N-[4-(2-ethylpiperidin-1-yl)sulfony...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C19H23N3O3S/c1-2-17-5-3-4-14-22(17)26(24,25)18-8-6-16(7-9-18)21-19(23)15-10-12-20-13-11-15/h6-13,17H,2-5,14H2,1H3,(H,21,23)
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PCBioAssay
n/an/a 1.17E+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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54520
PNG
(MLS001072146 | N-[4-(2-ethylpiperidin-1-yl)sulfony...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C19H23N3O3S/c1-2-17-5-3-4-14-22(17)26(24,25)18-8-6-16(7-9-18)21-19(23)15-10-12-20-13-11-15/h6-13,17H,2-5,14H2,1H3,(H,21,23)
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PCBioAssay
n/an/a 8.23E+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)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM54520
PNG
(MLS001072146 | N-[4-(2-ethylpiperidin-1-yl)sulfony...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C19H23N3O3S/c1-2-17-5-3-4-14-22(17)26(24,25)18-8-6-16(7-9-18)21-19(23)15-10-12-20-13-11-15/h6-13,17H,2-5,14H2,1H3,(H,21,23)
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PCBioAssay
n/an/an/an/a 5.51E+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)


Article DOI: 10.1016/j.bioorg.2013.09.002
BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair