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BDBM67412 5-(3,4-dimethoxyphenyl)-2-(3-nitrophenyl)sulfonyl-3-pyrazolamine::5-(3,4-dimethoxyphenyl)-2-(3-nitrophenyl)sulfonyl-pyrazol-3-amine::5-(3,4-dimethoxyphenyl)-2-(3-nitrophenyl)sulfonylpyrazol-3-amine::MLS-0435773.0001::[5-(3,4-dimethoxyphenyl)-2-(3-nitrophenyl)sulfonyl-pyrazol-3-yl]amine::cid_45253882

SMILES: COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=BYHWIYOLXJWXEE-UHFFFAOYSA-N

Data: 3 IC50

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 = 67412   
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 1


(Homo sapiens (Human))
BDBM67412
PNG
(5-(3,4-dimethoxyphenyl)-2-(3-nitrophenyl)sulfonyl-...)
Show SMILES COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H16N4O6S/c1-26-15-7-6-11(8-16(15)27-2)14-10-17(18)20(19-14)28(24,25)13-5-3-4-12(9-13)21(22)23/h3-10H,18H2,1-2H3
PDB
MMDB

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PCBioAssay
n/an/a>2.00E+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)


BindingDB Entry DOI: 10.7270/Q23J3BDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67412
PNG
(5-(3,4-dimethoxyphenyl)-2-(3-nitrophenyl)sulfonyl-...)
Show SMILES COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H16N4O6S/c1-26-15-7-6-11(8-16(15)27-2)14-10-17(18)20(19-14)28(24,25)13-5-3-4-12(9-13)21(22)23/h3-10H,18H2,1-2H3
PDB
MMDB

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n/an/a>2.00E+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)


BindingDB Entry DOI: 10.7270/Q2V1237V
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM67412
PNG
(5-(3,4-dimethoxyphenyl)-2-(3-nitrophenyl)sulfonyl-...)
Show SMILES COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H16N4O6S/c1-26-15-7-6-11(8-16(15)27-2)14-10-17(18)20(19-14)28(24,25)13-5-3-4-12(9-13)21(22)23/h3-10H,18H2,1-2H3
PDB

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KEGG

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UniChem

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PCBioAssay
n/an/a>2.00E+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)


BindingDB Entry DOI: 10.7270/Q2ZS2TX1
More data for this
Ligand-Target Pair