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PubChem AID 1578

Compile Data Set for Download or QSAR

Found 544 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)
BDBM36852
PNG
(MLS000073104 | N-(4-Benzo[1,3]dioxol-5-yl-thiazol-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)c1ccncc1
Show InChI InChI=1S/C16H11N3O3S/c20-15(10-3-5-17-6-4-10)19-16-18-12(8-23-16)11-1-2-13-14(7-11)22-9-21-13/h1-8H,9H2,(H,18,19,20)
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n/an/an/an/a 3.32E+3n/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 1


(Homo sapiens)
BDBM54155
PNG
(2-(4-Ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl...)
Show SMILES CCn1c(SCC(=O)Nc2nc(cs2)-c2ccccc2)nnc1-c1ccccc1
Show InChI InChI=1S/C21H19N5OS2/c1-2-26-19(16-11-7-4-8-12-16)24-25-21(26)29-14-18(27)23-20-22-17(13-28-20)15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,22,23,27)
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n/an/an/an/a 7.28E+3n/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 1


(Homo sapiens)
BDBM54157
PNG
(1-(4-chlorobenzyl)-3,7-dimethyl-8-[4-(2-pyridyl)pi...)
Show SMILES Cn1c(nc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H24ClN7O2/c1-27-19-20(26-22(27)30-13-11-29(12-14-30)18-5-3-4-10-25-18)28(2)23(33)31(21(19)32)15-16-6-8-17(24)9-7-16/h3-10H,11-15H2,1-2H3
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n/an/an/an/a 6.92E+3n/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 1


(Homo sapiens)
BDBM54163
PNG
(3-methyl-2-benzofurancarboxylic acid [2-[4-amino-1...)
Show SMILES CC(C)Cn1c(N)c(C(=O)COC(=O)c2oc3ccccc3c2C)c(=O)n(C)c1=O
Show InChI InChI=1S/C21H23N3O6/c1-11(2)9-24-18(22)16(19(26)23(4)21(24)28)14(25)10-29-20(27)17-12(3)13-7-5-6-8-15(13)30-17/h5-8,11H,9-10,22H2,1-4H3
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n/an/an/an/a 1.57E+4n/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 1


(Homo sapiens)
BDBM40027
PNG
(7-[4-[4-(4-chlorophenyl)-1-piperazinyl]-4-oxobutyl...)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O
Show InChI InChI=1S/C23H23ClN4O4S/c24-15-3-5-16(6-4-15)26-8-10-27(11-9-26)21(29)2-1-7-28-22(30)17-12-19-20(32-14-31-19)13-18(17)25-23(28)33/h3-6,12-13H,1-2,7-11,14H2,(H,25,33)
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n/an/an/an/a 7.73E+3n/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 1


(Homo sapiens)
BDBM54173
PNG
(2-[(9-tert-butyl-1,5-dicyano-2-keto-3-azaspiro[5.5...)
Show InChI InChI=1S/C24H34N4O2S/c1-23(2,3)16-9-11-24(12-10-16)18(13-25)21(30)28-22(19(24)14-26)31-15-20(29)27-17-7-5-4-6-8-17/h16-18H,4-12,15H2,1-3H3,(H,27,29)(H,28,30)
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n/an/an/an/a 6.58E+3n/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 1


(Homo sapiens)
BDBM37212
PNG
(MLS000100814 | N-cyclohexyl-N-methyl-1-(3-methylph...)
Show SMILES CN(C1CCCCC1)c1ncnc2n(ncc12)-c1cccc(C)c1
Show InChI InChI=1S/C19H23N5/c1-14-7-6-10-16(11-14)24-19-17(12-22-24)18(20-13-21-19)23(2)15-8-4-3-5-9-15/h6-7,10-13,15H,3-5,8-9H2,1-2H3
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n/an/an/an/a 9.93E+3n/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 1


(Homo sapiens)
BDBM54197
PNG
((1-heptyl-4-pyridylidene)amine;hydroiodide | 1-Hep...)
Show SMILES CCCCCCCn1ccc(=N)cc1
Show InChI InChI=1S/C12H20N2/c1-2-3-4-5-6-9-14-10-7-12(13)8-11-14/h7-8,10-11,13H,2-6,9H2,1H3
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n/an/an/an/a 6.12E+3n/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 1


(Homo sapiens)
BDBM33706
PNG
(1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...)
Show SMILES Cc1sc2nc(C)nc(SCC(=O)N3CCc4ccccc4C3)c2c1C
Show InChI InChI=1S/C20H21N3OS2/c1-12-13(2)26-20-18(12)19(21-14(3)22-20)25-11-17(24)23-9-8-15-6-4-5-7-16(15)10-23/h4-7H,8-11H2,1-3H3
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n/an/an/an/a 6.13E+3n/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 1


(Homo sapiens)
BDBM54211
PNG
(2-(4-chlorophenyl)sulfanyl-1-methyl-indole-3-carba...)
Show SMILES Cn1c(Sc2ccc(Cl)cc2)c(C=O)c2ccccc12
Show InChI InChI=1S/C16H12ClNOS/c1-18-15-5-3-2-4-13(15)14(10-19)16(18)20-12-8-6-11(17)7-9-12/h2-10H,1H3
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n/an/an/an/a 1.63E+3n/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 1


(Homo sapiens)
BDBM54222
PNG
((E)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-3...)
Show SMILES Cc1nc2CCCCc2cc1C(=O)C=Cc1ccccc1
Show InChI InChI=1S/C19H19NO/c1-14-17(13-16-9-5-6-10-18(16)20-14)19(21)12-11-15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10H2,1H3
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n/an/an/an/a 6.39E+3n/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 1


(Homo sapiens)
BDBM54225
PNG
(3-Chloro-N-{2,2,2-trichloro-1-[3-(2-chloro-phenyl)...)
Show SMILES Clc1cccc(c1)C(=O)NC(NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H12Cl5N3OS/c17-10-5-3-4-9(8-10)13(25)23-14(16(19,20)21)24-15(26)22-12-7-2-1-6-11(12)18/h1-8,14H,(H,23,25)(H2,22,24,26)
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n/an/an/an/a 2.00E+4n/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 1


(Homo sapiens)
BDBM54233
PNG
(MLS000560896 | N-(2,2-dichloro-1-tosyl-vinyl)-4-me...)
Show SMILES Cc1ccc(cc1)C(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H15Cl2NO3S/c1-11-3-7-13(8-4-11)16(21)20-17(15(18)19)24(22,23)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,20,21)
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n/an/an/an/a 2.46E+3n/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 1


(Homo sapiens)
BDBM54236
PNG
((4-benzylpiperazin-1-yl)-[4-(2-chlorophenyl)sulfon...)
Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H22ClN3O5S/c25-20-8-4-5-9-22(20)34(32,33)23-11-10-19(16-21(23)28(30)31)24(29)27-14-12-26(13-15-27)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2
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n/an/an/an/a 1.29E+4n/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 1


(Homo sapiens)
BDBM54237
PNG
(2-(N-(2-chloro-1-oxoethyl)-4-methylanilino)-N-cycl...)
Show SMILES COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(C)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H29ClN2O3/c1-17-8-12-20(13-9-17)27(22(28)16-25)23(18-10-14-21(30-2)15-11-18)24(29)26-19-6-4-3-5-7-19/h8-15,19,23H,3-7,16H2,1-2H3,(H,26,29)
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n/an/an/an/a 1.56E+4n/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 1


(Homo sapiens)
BDBM54248
PNG
((4E)-5-methyl-4-[[(2-methyl-8-quinolinyl)amino]met...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccc(C)nc12
Show InChI InChI=1S/C21H18N4O/c1-14-11-12-16-7-6-10-19(20(16)23-14)22-13-18-15(2)24-25(21(18)26)17-8-4-3-5-9-17/h3-13,24H,1-2H3
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n/an/an/an/a 4.72E+3n/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 1


(Homo sapiens)
BDBM54249
PNG
(2-methylene-1,3,5-triphenyl-pentane-1,5-dione | 2-...)
Show SMILES C=C(C(CC(=O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C24H20O2/c1-18(24(26)21-15-9-4-10-16-21)22(19-11-5-2-6-12-19)17-23(25)20-13-7-3-8-14-20/h2-16,22H,1,17H2
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n/an/an/an/a 8.67E+3n/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 1


(Homo sapiens)
BDBM54250
PNG
((E)-1-(2,4-Dichloro-phenyl)-5-methyl-2-[1,2,4]tria...)
Show SMILES CC(C)CC(=O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1
Show InChI InChI=1S/C15H15Cl2N3O/c1-10(2)5-15(21)14(20-9-18-8-19-20)6-11-3-4-12(16)7-13(11)17/h3-4,6-10H,5H2,1-2H3
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n/an/an/an/a 2.00E+4n/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 1


(Homo sapiens)
BDBM46401
PNG
(1-(2-nitrophenyl)-3-[[(E)-(6-oxidanylidene-4-propo...)
Show SMILES CCCOc1cc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c(=O)c1
Show InChI InChI=1S/C17H17N4O4S/c1-2-9-25-13-8-7-12(16(22)10-13)11-18-20-17(26)19-14-5-3-4-6-15(14)21(23)24/h3-8,10-11H,2,9H2,1H3,(H2,19,20,26)/q-1/p+1
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n/an/an/an/a 1.19E+4n/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 1


(Homo sapiens)
BDBM54268
PNG
(MLS000393643 | N-[3-[(2-methoxyphenyl)sulfamoyl]ph...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1
Show InChI InChI=1S/C23H19N3O4S/c1-30-22-12-5-4-11-20(22)26-31(28,29)18-9-6-8-17(15-18)24-23(27)21-14-13-16-7-2-3-10-19(16)25-21/h2-15,26H,1H3,(H,24,27)
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n/an/an/an/a 6.61E+3n/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 1


(Homo sapiens)
BDBM54269
PNG
(1-(2-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl...)
Show SMILES FC(F)(F)c1cnc(NNC(=S)Nc2ccccc2Cl)c(Cl)c1
Show InChI InChI=1S/C13H9Cl2F3N4S/c14-8-3-1-2-4-10(8)20-12(23)22-21-11-9(15)5-7(6-19-11)13(16,17)18/h1-6H,(H,19,21)(H2,20,22,23)
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n/an/an/an/a 6.06E+3n/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 1


(Homo sapiens)
BDBM59522
PNG
(3-[(3,4-difluorophenyl)sulfonylamino]-N-(6-mesyl-1...)
Show SMILES CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)c(F)c4)c3)sc2c1
Show InChI InChI=1S/C21H15F2N3O5S3/c1-33(28,29)14-6-8-18-19(11-14)32-21(24-18)25-20(27)12-3-2-4-13(9-12)26-34(30,31)15-5-7-16(22)17(23)10-15/h2-11,26H,1H3,(H,24,25,27)
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n/an/an/an/a 5.50E+3n/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 1


(Homo sapiens)
BDBM54272
PNG
(2-chloranyl-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-...)
Show SMILES ClCC(=O)N1N=C(CC1c1cccs1)c1ccco1
Show InChI InChI=1S/C13H11ClN2O2S/c14-8-13(17)16-10(12-4-2-6-19-12)7-9(15-16)11-3-1-5-18-11/h1-6,10H,7-8H2
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n/an/an/an/a 7.24E+3n/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 1


(Homo sapiens)
BDBM54275
PNG
(3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridi...)
Show SMILES COc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(Br)cc2)cn1
Show InChI InChI=1S/C19H16BrN3O4S/c1-27-18-10-9-16(12-21-18)22-19(24)13-3-2-4-17(11-13)28(25,26)23-15-7-5-14(20)6-8-15/h2-12,23H,1H3,(H,22,24)
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n/an/an/an/a 1.12E+4n/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 1


(Homo sapiens)
BDBM54284
PNG
((6-amino-5-nitro-pyrimidin-4-yl)-[(2,5-dimethyl-1-...)
Show SMILES Cc1cc(CN=Nc2ncnc(N)c2[N+]([O-])=O)c(C)n1-c1ccccc1
Show InChI InChI=1S/C17H17N7O2/c1-11-8-13(12(2)23(11)14-6-4-3-5-7-14)9-21-22-17-15(24(25)26)16(18)19-10-20-17/h3-8,10H,9H2,1-2H3,(H2,18,19,20)
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n/an/an/an/a 4.14E+3n/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 1


(Homo sapiens)
BDBM54285
PNG
(2-(4-chloranyl-2-methyl-phenoxy)-N-[2-(thiophen-2-...)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H17ClN2O4S2/c1-13-11-14(20)8-9-17(13)26-12-18(23)21-15-5-2-3-6-16(15)22-28(24,25)19-7-4-10-27-19/h2-11,22H,12H2,1H3,(H,21,23)
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n/an/an/an/a 5.15E+3n/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 1


(Homo sapiens)
BDBM54289
PNG
((4E)-4-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]meth...)
Show SMILES Clc1ccc(Sc2ccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)o2)cc1
Show InChI InChI=1S/C20H13ClN2O3S/c21-13-6-9-16(10-7-13)27-18-11-8-15(26-18)12-17-19(24)22-23(20(17)25)14-4-2-1-3-5-14/h1-12H,(H,22,24)/b17-12+
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n/an/an/an/a 2.00E+4n/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 1


(Homo sapiens)
BDBM54293
PNG
((5Z)-5-(4-hydroxy-3-nitro-benzylidene)-3-(3-nitrob...)
Show SMILES Oc1ccc(\C=C2/SC(=O)N(Cc3cccc(c3)[N+]([O-])=O)C2=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H11N3O7S/c21-14-5-4-10(7-13(14)20(26)27)8-15-16(22)18(17(23)28-15)9-11-2-1-3-12(6-11)19(24)25/h1-8,21H,9H2/b15-8-
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n/an/an/an/a 4.33E+3n/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 1


(Homo sapiens)
BDBM46570
PNG
(2-[(2,5-dimethylphenyl)thio]acetic acid [3-cyano-3...)
Show SMILES Cc1ccc(C)c(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C21H19N3O3S/c1-13-7-8-14(2)19(9-13)28-12-20(26)27-11-18(25)15(10-22)21-23-16-5-3-4-6-17(16)24-21/h3-9,15H,11-12H2,1-2H3,(H,23,24)
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n/an/an/an/a 2.00E+4n/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 1


(Homo sapiens)
BDBM54302
PNG
(MLS000682639 | N-(2-fluorophenyl)-2,5-dimethyl-4-(...)
Show SMILES Cc1c(sc2nc(C)nc(N3CCN(CC3)c3ccccn3)c12)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C24H23FN6OS/c1-15-20-22(31-13-11-30(12-14-31)19-9-5-6-10-26-19)27-16(2)28-24(20)33-21(15)23(32)29-18-8-4-3-7-17(18)25/h3-10H,11-14H2,1-2H3,(H,29,32)
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n/an/an/an/a 1.24E+4n/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 1


(Homo sapiens)
BDBM47311
PNG
(2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...)
Show SMILES Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)
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n/an/an/an/a 4.58E+3n/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 1


(Homo sapiens)
BDBM54317
PNG
(2-(2,4-dimethoxyphenyl)-5-methyl-4-[(4-quinazolin-...)
Show SMILES COc1ccc(-c2nc(CN3CCN(CC3)c3ncnc4ccccc34)c(C)o2)c(OC)c1
Show InChI InChI=1S/C25H27N5O3/c1-17-22(28-25(33-17)20-9-8-18(31-2)14-23(20)32-3)15-29-10-12-30(13-11-29)24-19-6-4-5-7-21(19)26-16-27-24/h4-9,14,16H,10-13,15H2,1-3H3
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n/an/an/an/a 5.23E+3n/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 1


(Homo sapiens)
BDBM54320
PNG
(2-[2-(2,4-dimethylanilino)-2-keto-ethyl]cinchonini...)
Show SMILES Cc1ccc(NC(=O)Cc2cc(C(O)=O)c3ccccc3n2)c(C)c1
Show InChI InChI=1S/C20H18N2O3/c1-12-7-8-17(13(2)9-12)22-19(23)11-14-10-16(20(24)25)15-5-3-4-6-18(15)21-14/h3-10H,11H2,1-2H3,(H,22,23)(H,24,25)
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n/an/an/an/a 7.04E+3n/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 1


(Homo sapiens)
BDBM54332
PNG
(4-[3-(4-aminophenoxy)phenoxy]aniline | 4-[3-(4-aza...)
Show SMILES Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1
Show InChI InChI=1S/C18H16N2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H,19-20H2
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n/an/an/an/a 5.94E+3n/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 1


(Homo sapiens)
BDBM54333
PNG
(MLS000660882 | N'-[(1E)-(4,5-dibromothien-2-yl...)
Show SMILES Brc1cc(C=NNC(=O)c2ccncc2)sc1Br
Show InChI InChI=1S/C11H7Br2N3OS/c12-9-5-8(18-10(9)13)6-15-16-11(17)7-1-3-14-4-2-7/h1-6H,(H,16,17)
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n/an/an/an/a 2.00E+4n/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 1


(Homo sapiens)
BDBM46794
PNG
(2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)ace...)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C11H8ClN3O3S/c12-8-3-1-7(2-4-8)5-9(16)14-11-13-6-10(19-11)15(17)18/h1-4,6H,5H2,(H,13,14,16)
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n/an/an/an/a 4.23E+3n/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 1


(Homo sapiens)
BDBM54341
PNG
(2-[4-(1,2,4-triazol-1-yl)benzylidene]malonic acid ...)
Show SMILES CCOC(=O)C(=Cc1ccc(cc1)-n1cncn1)C(=O)OCC
Show InChI InChI=1S/C16H17N3O4/c1-3-22-15(20)14(16(21)23-4-2)9-12-5-7-13(8-6-12)19-11-17-10-18-19/h5-11H,3-4H2,1-2H3
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n/an/an/an/a 2.00E+4n/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 1


(Homo sapiens)
BDBM46423
PNG
(4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine ...)
Show SMILES C(C1CCN(CC1)c1ncnc2sccc12)c1ccccc1
Show InChI InChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2
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n/an/an/an/a 2.00E+4n/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 1


(Homo sapiens)
BDBM54358
PNG
(3-methyl-1-phenyl-6-(trichloromethyl)-2H-pyrazolo[...)
Show SMILES Cc1nn(-c2ccccc2)c2nc([nH]c(=O)c12)C(Cl)(Cl)Cl
Show InChI InChI=1S/C13H9Cl3N4O/c1-7-9-10(17-12(13(14,15)16)18-11(9)21)20(19-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,17,18,21)
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n/an/an/an/a 1.24E+4n/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 1


(Homo sapiens)
BDBM59537
PNG
(1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-[(2-nit...)
Show SMILES Cc1cc(C(=O)COc2cccnc2[N+]([O-])=O)c(C)n1Cc1cccs1
Show InChI InChI=1S/C18H17N3O4S/c1-12-9-15(13(2)20(12)10-14-5-4-8-26-14)16(22)11-25-17-6-3-7-19-18(17)21(23)24/h3-9H,10-11H2,1-2H3
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n/an/an/an/a 2.00E+4n/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 1


(Homo sapiens)
BDBM54368
PNG
(3-(4-Methoxy-phenyl)-2,4-dimethylene-1,5-diphenyl-...)
Show SMILES COc1ccc(cc1)C(C(=C)C(=O)c1ccccc1)C(=C)C(=O)c1ccccc1
Show InChI InChI=1S/C26H22O3/c1-18(25(27)21-10-6-4-7-11-21)24(20-14-16-23(29-3)17-15-20)19(2)26(28)22-12-8-5-9-13-22/h4-17,24H,1-2H2,3H3
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n/an/an/an/a 2.00E+4n/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 1


(Homo sapiens)
BDBM54372
PNG
((5Z)-5-[(6-methoxy-2-piperidin-1-yl-quinolin-3-yl)...)
Show SMILES COc1ccc2nc(N3CCCCC3)c(C=C3SC(S)=NC3=O)cc2c1
Show InChI InChI=1S/C19H19N3O2S2/c1-24-14-5-6-15-12(10-14)9-13(11-16-18(23)21-19(25)26-16)17(20-15)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,21,23,25)
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n/an/an/an/a 2.17E+3n/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 1


(Homo sapiens)
BDBM54373
PNG
(1-Heptyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-c...)
Show SMILES CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O
Show InChI InChI=1S/C21H24N4O3/c1-2-3-4-5-8-13-25-16-10-7-6-9-15(16)19(26)18(21(25)28)20(27)24-17-14-22-11-12-23-17/h6-7,9-12,14,26H,2-5,8,13H2,1H3,(H,23,24,27)
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n/an/an/an/a 6.35E+3n/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 1


(Homo sapiens)
BDBM54389
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoranyl-5H...)
Show SMILES Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H15FN4/c20-14-5-6-16-15(9-14)17-18(23-16)19(22-11-21-17)24-8-7-12-3-1-2-4-13(12)10-24/h1-6,9,11,23H,7-8,10H2
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n/an/an/an/a 3.14E+3n/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 1


(Homo sapiens)
BDBM54417
PNG
(4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoro...)
Show SMILES FC(F)(F)c1cc(C=Cc2ccc(Cl)cc2Cl)[nH]c(=O)n1
Show InChI InChI=1S/C13H7Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1-6H,(H,19,20,21)
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n/an/an/an/a 3.83E+3n/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 1


(Homo sapiens)
BDBM47887
PNG
(2-Chloro-1-[4-(2-ethyl-7-methyl-5,6,7,8-tetrahydro...)
Show SMILES CCc1nc(N2CCN(CC2)C(=O)CCl)c2c3CCC(C)Cc3sc2n1
Show InChI InChI=1S/C19H25ClN4OS/c1-3-15-21-18(24-8-6-23(7-9-24)16(25)11-20)17-13-5-4-12(2)10-14(13)26-19(17)22-15/h12H,3-11H2,1-2H3
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n/an/an/an/a 2.00E+4n/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 1


(Homo sapiens)
BDBM54422
PNG
(4-(4-bromophenyl)-2-[(3,4,5-trimethoxybenzoyl)amin...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H18BrNO6S/c1-27-15-8-12(9-16(28-2)18(15)29-3)19(24)23-20-17(21(25)26)14(10-30-20)11-4-6-13(22)7-5-11/h4-10H,1-3H3,(H,23,24)(H,25,26)
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n/an/an/an/a 3.97E+3n/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 1


(Homo sapiens)
BDBM237
PNG
(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Show SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C
Show InChI InChI=1S/C19H21N2/c1-14-5-8-19-18(13-14)17(15(2)21(19)4)7-6-16-9-11-20(3)12-10-16/h5-13H,1-4H3/q+1
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n/an/an/an/a 1.73E+4n/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 1


(Homo sapiens)
BDBM54451
PNG
(3-[[3-(dimethylsulfamoyl)phenyl]methylsulfanylmeth...)
Show SMILES CN(C)S(=O)(=O)c1cccc(CSCc2cccc(c2)S(=O)(=O)N(C)C)c1
Show InChI InChI=1S/C18H24N2O4S3/c1-19(2)26(21,22)17-9-5-7-15(11-17)13-25-14-16-8-6-10-18(12-16)27(23,24)20(3)4/h5-12H,13-14H2,1-4H3
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n/an/an/an/a 1.30E+3n/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 1


(Homo sapiens)
BDBM59556
PNG
(2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-4,...)
Show SMILES OC(=O)c1c(NC(=O)\C=C\c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C16H15NO3S2/c18-13(8-7-10-4-3-9-21-10)17-15-14(16(19)20)11-5-1-2-6-12(11)22-15/h3-4,7-9H,1-2,5-6H2,(H,17,18)(H,19,20)/b8-7+
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n/an/an/an/a 8.28E+3n/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
Displayed 1 to 50 (of 544 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%