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BDBM59542 (1-tosylbenzimidazol-2-yl)amine::1-(4-methylphenyl)sulfonyl-2-benzimidazolamine::1-(4-methylphenyl)sulfonylbenzimidazol-2-amine::1-(Toluene-4-sulfonyl)-1H-benzoimidazol-2-ylamine::MLS001201458::SMR000523991::cid_1088438

SMILES: Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12

InChI Key: InChIKey=SRFABRWQVPCPRG-UHFFFAOYSA-N

Data: 24 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 25 hits for monomerid = 59542   
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))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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n/an/an/an/a 460n/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
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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PubMed
n/an/a 5.49E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human NOD2 over-expressed in HEK-Blue cells assessed as inhibition of C12-iE-DAP induced NF-kappaB transcriptional activity preincubate...


Bioorg Med Chem 24: 5221-5234 (2016)


Article DOI: 10.1016/j.bmc.2016.08.044
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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n/an/a 1.88E+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/Q28C9TP6
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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/Q20Z71QR
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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/Q20Z71QR
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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 1


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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 2


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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/Q2PR7TDC
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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/Q2TD9VS8
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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/Q2JW8CBM
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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/Q29C6VV1
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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/Q25M6443
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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/Q2RR1WP4
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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 1


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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PubMed
n/an/a 560n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD1 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay


J Med Chem 57: 6897-918 (2014)


Article DOI: 10.1021/jm401841p
BindingDB Entry DOI: 10.7270/Q2PV6N0K
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay


J Med Chem 57: 6897-918 (2014)


Article DOI: 10.1021/jm401841p
BindingDB Entry DOI: 10.7270/Q2PV6N0K
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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n/an/a 560n/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
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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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))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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n/an/a 560n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human NOD1 over-expressed in HEK-Blue cells assessed as inhibition of C12-iE-DAP induced NF-kappaB transcriptional activity preincubate...


Bioorg Med Chem 24: 5221-5234 (2016)


Article DOI: 10.1016/j.bmc.2016.08.044
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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n/an/a 1.73E+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/Q28C9TP6
More data for this
Ligand-Target Pair