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PubChem AID 2264

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
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 972n/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)
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)
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)
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)
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 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
* indicates data uncertainty>20%