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BDBM62326 1-[5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone::1-[5-[4-(4-nitrophenyl)piperazino]sulfonylindolin-1-yl]ethanone::1-[5-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]ethanone::MLS-0425667.0001::cid_26528163

SMILES: CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=XJQNIUJLPVSAAN-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 62326   
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))
BDBM62326
PNG
(1-[5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-2,3...)
Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H22N4O5S/c1-15(25)23-9-8-16-14-19(6-7-20(16)23)30(28,29)22-12-10-21(11-13-22)17-2-4-18(5-3-17)24(26)27/h2-7,14H,8-13H2,1H3
PDB
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PC sid
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/Q2Z899VD
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM62326
PNG
(1-[5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-2,3...)
Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H22N4O5S/c1-15(25)23-9-8-16-14-19(6-7-20(16)23)30(28,29)22-12-10-21(11-13-22)17-2-4-18(5-3-17)24(26)27/h2-7,14H,8-13H2,1H3
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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/Q2TH8K43
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM62326
PNG
(1-[5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-2,3...)
Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H22N4O5S/c1-15(25)23-9-8-16-14-19(6-7-20(16)23)30(28,29)22-12-10-21(11-13-22)17-2-4-18(5-3-17)24(26)27/h2-7,14H,8-13H2,1H3
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


ACS Med Chem Lett 2: 780-785 (2011)


Article DOI: 10.1021/ml200158b
BindingDB Entry DOI: 10.7270/Q2H9966Z
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62326
PNG
(1-[5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-2,3...)
Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H22N4O5S/c1-15(25)23-9-8-16-14-19(6-7-20(16)23)30(28,29)22-12-10-21(11-13-22)17-2-4-18(5-3-17)24(26)27/h2-7,14H,8-13H2,1H3
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...


ACS Med Chem Lett 2: 780-785 (2011)


Article DOI: 10.1021/ml200158b
BindingDB Entry DOI: 10.7270/Q2H9966Z
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62326
PNG
(1-[5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-2,3...)
Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H22N4O5S/c1-15(25)23-9-8-16-14-19(6-7-20(16)23)30(28,29)22-12-10-21(11-13-22)17-2-4-18(5-3-17)24(26)27/h2-7,14H,8-13H2,1H3
PDB
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PC cid
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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/Q2PR7TDC
More data for this
Ligand-Target Pair