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BDBM62307 (5,6-dimethyl-1-tosyl-benzimidazol-2-yl)amine::5,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-benzimidazolamine::5,6-dimethyl-1-(4-methylphenyl)sulfonyl-benzimidazol-2-amine::5,6-dimethyl-1-(4-methylphenyl)sulfonylbenzimidazol-2-amine::MLS-0425618.0001::cid_44229067

SMILES: Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2cc(C)c(C)cc12

InChI Key: InChIKey=XLIIDMLPBLNVLH-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 62307   
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))
BDBM62307
PNG
((5,6-dimethyl-1-tosyl-benzimidazol-2-yl)amine | 5,...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2cc(C)c(C)cc12
Show InChI InChI=1S/C16H17N3O2S/c1-10-4-6-13(7-5-10)22(20,21)19-15-9-12(3)11(2)8-14(15)18-16(19)17/h4-9H,1-3H3,(H2,17,18)
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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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62307
PNG
((5,6-dimethyl-1-tosyl-benzimidazol-2-yl)amine | 5,...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2cc(C)c(C)cc12
Show InChI InChI=1S/C16H17N3O2S/c1-10-4-6-13(7-5-10)22(20,21)19-15-9-12(3)11(2)8-14(15)18-16(19)17/h4-9H,1-3H3,(H2,17,18)
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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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62307
PNG
((5,6-dimethyl-1-tosyl-benzimidazol-2-yl)amine | 5,...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2cc(C)c(C)cc12
Show InChI InChI=1S/C16H17N3O2S/c1-10-4-6-13(7-5-10)22(20,21)19-15-9-12(3)11(2)8-14(15)18-16(19)17/h4-9H,1-3H3,(H2,17,18)
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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/Q23J3BDQ
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM62307
PNG
((5,6-dimethyl-1-tosyl-benzimidazol-2-yl)amine | 5,...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2cc(C)c(C)cc12
Show InChI InChI=1S/C16H17N3O2S/c1-10-4-6-13(7-5-10)22(20,21)19-15-9-12(3)11(2)8-14(15)18-16(19)17/h4-9H,1-3H3,(H2,17,18)
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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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62307
PNG
((5,6-dimethyl-1-tosyl-benzimidazol-2-yl)amine | 5,...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2cc(C)c(C)cc12
Show InChI InChI=1S/C16H17N3O2S/c1-10-4-6-13(7-5-10)22(20,21)19-15-9-12(3)11(2)8-14(15)18-16(19)17/h4-9H,1-3H3,(H2,17,18)
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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))
BDBM62307
PNG
((5,6-dimethyl-1-tosyl-benzimidazol-2-yl)amine | 5,...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2cc(C)c(C)cc12
Show InChI InChI=1S/C16H17N3O2S/c1-10-4-6-13(7-5-10)22(20,21)19-15-9-12(3)11(2)8-14(15)18-16(19)17/h4-9H,1-3H3,(H2,17,18)
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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-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 2


(Homo sapiens (Human))
BDBM62307
PNG
((5,6-dimethyl-1-tosyl-benzimidazol-2-yl)amine | 5,...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2cc(C)c(C)cc12
Show InChI InChI=1S/C16H17N3O2S/c1-10-4-6-13(7-5-10)22(20,21)19-15-9-12(3)11(2)8-14(15)18-16(19)17/h4-9H,1-3H3,(H2,17,18)
PDB

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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/Q2ZS2TX1
More data for this
Ligand-Target Pair