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12 similar compounds to monomer 59542

Compile data set for download or QSAR
Wt: 315.3
BDBM62307
Wt: 272.3
BDBM62169
Purchase
Wt: 307.7
BDBM62170
Wt: 273.3
BDBM62171
Purchase
Wt: 303.3
BDBM62172
Wt: 291.3
BDBM67406
Wt: 287.3
BDBM67408
Wt: 315.3
BDBM67405
Wt: 323.3
BDBM67407
Wt: 298.3
BDBM67409
Wt: 341.3
BDBM67416
Wt: 298.3
BDBM67417

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 62307,62169,62170,62171,62172,67406,67408,67405,67407,67409,67416,67417   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62171
PNG
((1-besylbenzimidazol-2-yl)amine | 1-(benzenesulfon...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C13H11N3O2S/c14-13-15-11-8-4-5-9-12(11)16(13)19(17,18)10-6-2-1-3-7-10/h1-9H,(H2,14,15)
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n/an/a 2.22E+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)


BindingDB Entry DOI: 10.7270/Q2Z899VD
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
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/Q2Z899VD
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 94n/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 1


(Homo sapiens (Human))
BDBM62169
PNG
(1-(4-methylphenyl)sulfonylbenzimidazole | 1-tosylb...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
Show InChI InChI=1S/C14H12N2O2S/c1-11-6-8-12(9-7-11)19(17,18)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
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n/an/a 6.31E+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)


BindingDB Entry DOI: 10.7270/Q2Z899VD
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 485n/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))
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 1.97E+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))
BDBM62169
PNG
(1-(4-methylphenyl)sulfonylbenzimidazole | 1-tosylb...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
Show InChI InChI=1S/C14H12N2O2S/c1-11-6-8-12(9-7-11)19(17,18)16-10-15-13-4-2-3-5-14(13)16/h2-10H,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/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(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))
BDBM62171
PNG
((1-besylbenzimidazol-2-yl)amine | 1-(benzenesulfon...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C13H11N3O2S/c14-13-15-11-8-4-5-9-12(11)16(13)19(17,18)10-6-2-1-3-7-10/h1-9H,(H2,14,15)
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/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62172
PNG
(1-(4-methoxyphenyl)sulfonyl-2-benzimidazolamine | ...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O3S/c1-20-10-6-8-11(9-7-10)21(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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/Q2PR7TDC
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)
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/Q2PR7TDC
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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/Q2PR7TDC
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62169
PNG
(1-(4-methylphenyl)sulfonylbenzimidazole | 1-tosylb...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
Show InChI InChI=1S/C14H12N2O2S/c1-11-6-8-12(9-7-11)19(17,18)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
PDB
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n/an/a 9.66E+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)


BindingDB Entry DOI: 10.7270/Q2RR1WP4
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 1.08E+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)


BindingDB Entry DOI: 10.7270/Q2RR1WP4
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62171
PNG
((1-besylbenzimidazol-2-yl)amine | 1-(benzenesulfon...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C13H11N3O2S/c14-13-15-11-8-4-5-9-12(11)16(13)19(17,18)10-6-2-1-3-7-10/h1-9H,(H2,14,15)
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n/an/a 5.25E+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)


BindingDB Entry DOI: 10.7270/Q2RR1WP4
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62172
PNG
(1-(4-methoxyphenyl)sulfonyl-2-benzimidazolamine | ...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O3S/c1-20-10-6-8-11(9-7-10)21(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 2.48E+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)


BindingDB Entry DOI: 10.7270/Q2RR1WP4
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 1


(Homo sapiens (Human))
BDBM67405
PNG
((1-p-cumenylsulfonylbenzimidazol-2-yl)amine | 1-(4...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C16H17N3O2S/c1-11(2)12-7-9-13(10-8-12)22(20,21)19-15-6-4-3-5-14(15)18-16(19)17/h3-11H,1-2H3,(H2,17,18)
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n/an/a 495n/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 1


(Homo sapiens (Human))
BDBM67406
PNG
(1-(4-fluorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C13H10FN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 4.31E+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)


BindingDB Entry DOI: 10.7270/Q23J3BDQ
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM67407
PNG
(1-(1-naphthalenylsulfonyl)-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C17H13N3O2S/c18-17-19-14-9-3-4-10-15(14)20(17)23(21,22)16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H2,18,19)
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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 1


(Homo sapiens (Human))
BDBM67408
PNG
(1-(2-methylphenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Cc1ccccc1S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-2-5-9-13(10)20(18,19)17-12-8-4-3-7-11(12)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 1


(Homo sapiens (Human))
BDBM67409
PNG
(2-(2-aminobenzimidazol-1-yl)sulfonylbenzonitrile |...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1C#N
Show InChI InChI=1S/C14H10N4O2S/c15-9-10-5-1-4-8-13(10)21(19,20)18-12-7-3-2-6-11(12)17-14(18)16/h1-8H,(H2,16,17)
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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 1


(Homo sapiens (Human))
BDBM67416
PNG
(1-[4-(trifluoromethyl)phenyl]sulfonyl-2-benzimidaz...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O2S/c15-14(16,17)9-5-7-10(8-6-9)23(21,22)20-12-4-2-1-3-11(12)19-13(20)18/h1-8H,(H2,18,19)
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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 1


(Homo sapiens (Human))
BDBM67417
PNG
(4-(2-aminobenzimidazol-1-yl)sulfonylbenzonitrile |...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C14H10N4O2S/c15-9-10-5-7-11(8-6-10)21(19,20)18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,(H2,16,17)
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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))
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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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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM67405
PNG
((1-p-cumenylsulfonylbenzimidazol-2-yl)amine | 1-(4...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C16H17N3O2S/c1-11(2)12-7-9-13(10-8-12)22(20,21)19-15-6-4-3-5-14(15)18-16(19)17/h3-11H,1-2H3,(H2,17,18)
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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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM67406
PNG
(1-(4-fluorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C13H10FN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM67407
PNG
(1-(1-naphthalenylsulfonyl)-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C17H13N3O2S/c18-17-19-14-9-3-4-10-15(14)20(17)23(21,22)16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H2,18,19)
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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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM67408
PNG
(1-(2-methylphenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Cc1ccccc1S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-2-5-9-13(10)20(18,19)17-12-8-4-3-7-11(12)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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM67409
PNG
(2-(2-aminobenzimidazol-1-yl)sulfonylbenzonitrile |...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1C#N
Show InChI InChI=1S/C14H10N4O2S/c15-9-10-5-1-4-8-13(10)21(19,20)18-12-7-3-2-6-11(12)17-14(18)16/h1-8H,(H2,16,17)
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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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM67416
PNG
(1-[4-(trifluoromethyl)phenyl]sulfonyl-2-benzimidaz...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O2S/c15-14(16,17)9-5-7-10(8-6-9)23(21,22)20-12-4-2-1-3-11(12)19-13(20)18/h1-8H,(H2,18,19)
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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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM67417
PNG
(4-(2-aminobenzimidazol-1-yl)sulfonylbenzonitrile |...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C14H10N4O2S/c15-9-10-5-7-11(8-6-10)21(19,20)18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,(H2,16,17)
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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))
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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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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67405
PNG
((1-p-cumenylsulfonylbenzimidazol-2-yl)amine | 1-(4...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C16H17N3O2S/c1-11(2)12-7-9-13(10-8-12)22(20,21)19-15-6-4-3-5-14(15)18-16(19)17/h3-11H,1-2H3,(H2,17,18)
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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/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67406
PNG
(1-(4-fluorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C13H10FN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(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/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67407
PNG
(1-(1-naphthalenylsulfonyl)-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C17H13N3O2S/c18-17-19-14-9-3-4-10-15(14)20(17)23(21,22)16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H2,18,19)
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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/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67408
PNG
(1-(2-methylphenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Cc1ccccc1S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-2-5-9-13(10)20(18,19)17-12-8-4-3-7-11(12)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/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67409
PNG
(2-(2-aminobenzimidazol-1-yl)sulfonylbenzonitrile |...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1C#N
Show InChI InChI=1S/C14H10N4O2S/c15-9-10-5-1-4-8-13(10)21(19,20)18-12-7-3-2-6-11(12)17-14(18)16/h1-8H,(H2,16,17)
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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/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67416
PNG
(1-[4-(trifluoromethyl)phenyl]sulfonyl-2-benzimidaz...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O2S/c15-14(16,17)9-5-7-10(8-6-9)23(21,22)20-12-4-2-1-3-11(12)19-13(20)18/h1-8H,(H2,18,19)
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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/Q2V1237V
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67417
PNG
(4-(2-aminobenzimidazol-1-yl)sulfonylbenzonitrile |...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C14H10N4O2S/c15-9-10-5-7-11(8-6-10)21(19,20)18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,(H2,16,17)
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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/Q2V1237V
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM62169
PNG
(1-(4-methylphenyl)sulfonylbenzimidazole | 1-tosylb...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
Show InChI InChI=1S/C14H12N2O2S/c1-11-6-8-12(9-7-11)19(17,18)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
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n/an/a 5.00E+4n/an/an/an/a7.5n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo...


US Patent US9320722 (2016)


BindingDB Entry DOI: 10.7270/Q2V69HGB
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 1.20E+3n/an/an/an/a7.5n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo...


US Patent US9320722 (2016)


BindingDB Entry DOI: 10.7270/Q2V69HGB
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 90n/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))
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 1.99E+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
Aldehyde dehydrogenase 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH3A1-mediated benzaldehyde oxidation preincubated for 1 min followed by substrate addition by spectrophotometric analysis


J Med Chem 57: 449-61 (2014)


Article DOI: 10.1021/jm401508p
BindingDB Entry DOI: 10.7270/Q2VT1TKK
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM62169
PNG
(1-(4-methylphenyl)sulfonylbenzimidazole | 1-tosylb...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
Show InChI InChI=1S/C14H12N2O2S/c1-11-6-8-12(9-7-11)19(17,18)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH3A1-mediated benzaldehyde oxidation preincubated for 1 min followed by substrate addition by spectrophotometric analysis


J Med Chem 57: 449-61 (2014)


Article DOI: 10.1021/jm401508p
BindingDB Entry DOI: 10.7270/Q2VT1TKK
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62172
PNG
(1-(4-methoxyphenyl)sulfonyl-2-benzimidazolamine | ...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O3S/c1-20-10-6-8-11(9-7-10)21(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 2.70E+3n/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 1


(Homo sapiens (Human))
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 90n/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 1


(Homo sapiens (Human))
BDBM62171
PNG
((1-besylbenzimidazol-2-yl)amine | 1-(benzenesulfon...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C13H11N3O2S/c14-13-15-11-8-4-5-9-12(11)16(13)19(17,18)10-6-2-1-3-7-10/h1-9H,(H2,14,15)
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n/an/a 2.20E+3n/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
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