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PubChem AID 2001

Compile Data Set for Download or QSAR

Found 464 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 2


(Homo sapiens)
BDBM54356
PNG
(2-bromobenzoic acid [2-[2,5-dimethyl-1-(2-oxolanyl...)
Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1
Show InChI InChI=1S/C20H22BrNO4/c1-13-10-17(14(2)22(13)11-15-6-5-9-25-15)19(23)12-26-20(24)16-7-3-4-8-18(16)21/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3
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n/an/a 36n/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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54367
PNG
(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxya...)
Show SMILES COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(OC)cc1
Show InChI InChI=1S/C22H20N4O4S/c1-13(23-14-8-10-15(29-2)11-9-14)20-17(12-19(27)30-3)25-26(21(20)28)22-24-16-6-4-5-7-18(16)31-22/h4-11,25H,12H2,1-3H3
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n/an/a 103n/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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(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/a 233n/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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54195
PNG
(2-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]met...)
Show SMILES Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C)cc1
Show InChI InChI=1S/C23H19N3OS/c1-14-8-10-18(11-9-14)25-15(2)12-17(16(25)3)13-21-22(27)26-20-7-5-4-6-19(20)24-23(26)28-21/h4-13H,1-3H3
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n/an/a 480n/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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54484
PNG
(MLS001122505 | N-[1-(2,3-dimethylphenyl)-4,5,6,7-t...)
Show SMILES Cc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
Show InChI InChI=1S/C21H25N5O/c1-13-7-5-9-18(15(13)3)26-19-10-6-8-17(16(19)12-22-26)23-21(27)20-11-14(2)24-25(20)4/h5,7,9,11-12,17H,6,8,10H2,1-4H3,(H,23,27)
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n/an/a 609n/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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM32981
PNG
((5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-3-pyrrol...)
Show SMILES CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2cccc(O)c2)C1=O
Show InChI InChI=1S/C17H16N2O2S2/c1-10-7-12(8-15-16(21)18(3)17(22)23-15)11(2)19(10)13-5-4-6-14(20)9-13/h4-9,20H,1-3H3/b15-8-
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n/an/a 695n/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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54431
PNG
(1-(5-hydroxy-2-methyl-1-p-phenetyl-indol-3-yl)etha...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c(C(C)=O)c2cc(O)ccc12
Show InChI InChI=1S/C19H19NO3/c1-4-23-16-8-5-14(6-9-16)20-12(2)19(13(3)21)17-11-15(22)7-10-18(17)20/h5-11,22H,4H2,1-3H3
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n/an/a 875n/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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(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/a 1.15E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54390
PNG
(2-Methyl-3-nitro-1-p-tolyl-1H-indol-6-ol | 2-methy...)
Show SMILES Cc1c([N+]([O-])=O)c2ccc(O)cc2n1-c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O3/c1-10-3-5-12(6-4-10)17-11(2)16(18(20)21)14-8-7-13(19)9-15(14)17/h3-9,19H,1-2H3
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n/an/a 1.18E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54188
PNG
(1-(3-methylphenyl)-3-[(Z)-(2-oxidanylidene-1-prop-...)
Show SMILES Cc1cccc(NC(=S)NN=C2C(=O)N(CC=C)c3ccccc23)c1
Show InChI InChI=1S/C19H18N4OS/c1-3-11-23-16-10-5-4-9-15(16)17(18(23)24)21-22-19(25)20-14-8-6-7-13(2)12-14/h3-10,12H,1,11H2,2H3,(H2,20,22,25)
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n/an/a 1.18E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM48658
PNG
(3-amyl-7-(4-piperonylpiperazine-1-carbonyl)-1H-qui...)
Show SMILES CCCCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C26H30N4O5/c1-2-3-4-9-30-25(32)20-7-6-19(15-21(20)27-26(30)33)24(31)29-12-10-28(11-13-29)16-18-5-8-22-23(14-18)35-17-34-22/h5-8,14-15H,2-4,9-13,16-17H2,1H3,(H,27,33)
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n/an/a 1.27E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(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/a 1.27E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54409
PNG
(4-[4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzo...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C26H26N2O3/c1-2-31-26(30)22-11-13-24(14-12-22)27-25(29)21-9-7-19(8-10-21)17-28-16-15-20-5-3-4-6-23(20)18-28/h3-14H,2,15-18H2,1H3,(H,27,29)
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n/an/a 1.30E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54218
PNG
((6-bromoquinazolin-4-yl)-(4-chlorophenyl)amine | 6...)
Show SMILES Clc1ccc(Nc2ncnc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C14H9BrClN3/c15-9-1-6-13-12(7-9)14(18-8-17-13)19-11-4-2-10(16)3-5-11/h1-8H,(H,17,18,19)
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n/an/a 1.47E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54261
PNG
(MLS000417624 | N-(4-methyl-3-piperidin-1-ylsulfony...)
Show SMILES Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C22H24N4O3S2/c1-16-9-10-17(13-20(16)31(28,29)26-11-5-2-6-12-26)25-21(27)14-30-22-18-7-3-4-8-19(18)23-15-24-22/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,25,27)
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n/an/a 1.73E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54227
PNG
(3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)...)
Show SMILES CCc1c(C)nc2ccc(Br)cc2c1SCCC#N
Show InChI InChI=1S/C15H15BrN2S/c1-3-12-10(2)18-14-6-5-11(16)9-13(14)15(12)19-8-4-7-17/h5-6,9H,3-4,8H2,1-2H3
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n/an/a 1.74E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54189
PNG
(1-(3-methoxyphenyl)-3-[(Z)-(2-oxidanylidene-1-prop...)
Show SMILES COc1cccc(NC(=S)NN=C2C(=O)N(CC=C)c3ccccc23)c1
Show InChI InChI=1S/C19H18N4O2S/c1-3-11-23-16-10-5-4-9-15(16)17(18(23)24)21-22-19(26)20-13-7-6-8-14(12-13)25-2/h3-10,12H,1,11H2,2H3,(H2,20,22,26)
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n/an/a 1.76E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM50227494
PNG
(CHEMBL257286 | N-(quinolin-8-yl)benzenesulfonamide...)
Show SMILES O=S(=O)(Nc1cccc2cccnc12)c1ccccc1
Show InChI InChI=1S/C15H12N2O2S/c18-20(19,13-8-2-1-3-9-13)17-14-10-4-6-12-7-5-11-16-15(12)14/h1-11,17H
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n/an/a 1.83E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54384
PNG
(MLS000757219 | N-(4-bromanylnaphthalen-1-yl)-1-oxi...)
Show SMILES Oc1c(ccc2ccccc12)C(=O)Nc1ccc(Br)c2ccccc12
Show InChI InChI=1S/C21H14BrNO2/c22-18-11-12-19(16-8-4-3-7-15(16)18)23-21(25)17-10-9-13-5-1-2-6-14(13)20(17)24/h1-12,24H,(H,23,25)
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n/an/a 1.91E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM50312
PNG
(2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-...)
Show SMILES COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1
Show InChI InChI=1S/C16H9F2N3O2S2/c1-23-14(22)7-2-3-10-11(4-7)24-15(19-10)21-16-20-13-9(18)5-8(17)6-12(13)25-16/h2-6H,1H3,(H,19,20,21)
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n/an/a 1.92E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54518
PNG
(2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl...)
Show SMILES O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1
Show InChI InChI=1S/C20H15N3O2S2/c24-16(21-14-9-5-2-6-10-14)12-27-20-22-18(25)17-15(11-26-19(17)23-20)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,24)(H,22,23,25)
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n/an/a 1.93E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54298
PNG
((2Z)-3-butyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Show SMILES CCCCN1\C(Sc2ccccc12)=C\c1ccc2ccccc2[n+]1CC
Show InChI InChI=1S/C23H25N2S/c1-3-5-16-25-21-12-8-9-13-22(21)26-23(25)17-19-15-14-18-10-6-7-11-20(18)24(19)4-2/h6-15,17H,3-5,16H2,1-2H3/q+1
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n/an/a 1.95E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM44128
PNG
(1-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}-4-...)
Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H19ClN4O5S/c23-17-4-3-5-18(15-17)33(31,32)20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2
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n/an/a 1.95E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54177
PNG
(MLS000107619 | N-[1-(4-chlorobenzyl)benzimidazol-2...)
Show SMILES Clc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
Show InChI InChI=1S/C19H14ClN3O2/c20-14-9-7-13(8-10-14)12-23-16-5-2-1-4-15(16)21-19(23)22-18(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,22,24)
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n/an/a 1.96E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM37016
PNG
(MLS000056239 | N-[2-[2-[2,5-dimethyl-1-(2-thenyl)p...)
Show SMILES CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C
Show InChI InChI=1S/C21H22N2O3S/c1-14-11-18(15(2)23(14)12-17-7-6-10-27-17)20(25)13-26-21-9-5-4-8-19(21)22-16(3)24/h4-11H,12-13H2,1-3H3,(H,22,24)
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n/an/a 2.05E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54276
PNG
(MLS000393523 | N-(4-methoxyphenyl)-3-nitro-4-[2-(1...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(N=NC(C)c3ccncc3)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H19N5O5S/c1-14(15-9-11-21-12-10-15)22-23-19-8-7-18(13-20(19)25(26)27)31(28,29)24-16-3-5-17(30-2)6-4-16/h3-14,24H,1-2H3
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n/an/a 2.11E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54208
PNG
(1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazo...)
Show SMILES Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)cc1
Show InChI InChI=1S/C16H15N5O3S/c1-9-4-6-11(7-5-9)13-10(2)25-16(17-13)18-15(22)14-12(21(23)24)8-20(3)19-14/h4-8H,1-3H3,(H,17,18,22)
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n/an/a 2.14E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54445
PNG
(2-{(E)-2-[4-(diethylamino)phenyl]vinyl}-1-ethyl-7-...)
Show SMILES CCN(CC)c1ccc(\C=C\c2ccc3ccc(OC)cc3[n+]2CC)cc1
Show InChI InChI=1S/C24H29N2O/c1-5-25(6-2)21-13-8-19(9-14-21)10-15-22-16-11-20-12-17-23(27-4)18-24(20)26(22)7-3/h8-18H,5-7H2,1-4H3/q+1
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n/an/a 2.20E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54226
PNG
((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(4...)
Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1
Show InChI InChI=1S/C18H12ClN5O4/c1-28-11-4-2-9-6-12-16(20)22-23(17(12)21-14(9)8-11)18(25)10-3-5-13(19)15(7-10)24(26)27/h2-8H,1H3,(H2,20,22)
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n/an/a 2.29E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54401
PNG
((1-benzyl-4-piperidyl)-(5-methylthieno[2,3-d]pyrim...)
Show SMILES Cc1csc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C19H22N4S/c1-14-12-24-19-17(14)18(20-13-21-19)22-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,20,21,22)
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n/an/a 2.36E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54369
PNG
(2-(7-Methoxy-4-methyl-quinazolin-2-ylamino)-6-phen...)
Show SMILES COc1ccc2c(C)nc(Nc3nc(cc(=O)[nH]3)-c3ccccc3)nc2c1
Show InChI InChI=1S/C20H17N5O2/c1-12-15-9-8-14(27-2)10-17(15)23-19(21-12)25-20-22-16(11-18(26)24-20)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,21,22,23,24,25,26)
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n/an/a 2.37E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM50171339
PNG
(1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thia...)
Show SMILES CCSc1nsc(NC(=O)Nc2cccc(c2)C(C)=O)n1
Show InChI InChI=1S/C13H14N4O2S2/c1-3-20-13-16-12(21-17-13)15-11(19)14-10-6-4-5-9(7-10)8(2)18/h4-7H,3H2,1-2H3,(H2,14,15,16,17,19)
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n/an/a 2.39E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54194
PNG
(1-(4-methoxyphenyl)-2-methyl-3-nitro-7-(1-piperidi...)
Show SMILES COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)c(CN3CCCCC3)c12
Show InChI InChI=1S/C22H25N3O4/c1-15-21(25(27)28)18-10-11-20(26)19(14-23-12-4-3-5-13-23)22(18)24(15)16-6-8-17(29-2)9-7-16/h6-11,26H,3-5,12-14H2,1-2H3
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n/an/a 2.39E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54156
PNG
(Furan-2-carboxylic acid [1-(2-p-tolyloxy-ethyl)-1H...)
Show SMILES Cc1ccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
Show InChI InChI=1S/C21H19N3O3/c1-15-8-10-16(11-9-15)26-14-12-24-18-6-3-2-5-17(18)22-21(24)23-20(25)19-7-4-13-27-19/h2-11,13H,12,14H2,1H3,(H,22,23,25)
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n/an/a 2.41E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54364
PNG
(1-[4-(2,4-ditert-amylphenoxy)butyl]-2,3-dimethyl-p...)
Show SMILES CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2C)c(c1)C(C)(C)CC
Show InChI InChI=1S/C27H42NO/c1-9-26(5,6)23-15-16-25(24(20-23)27(7,8)10-2)29-19-12-11-17-28-18-13-14-21(3)22(28)4/h13-16,18,20H,9-12,17,19H2,1-8H3/q+1
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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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54246
PNG
(2,5-Bis-dimethylaminomethyl-1,6-bis-(4-ethoxy-phen...)
Show SMILES CCOc1ccc(cc1)C(=O)C(CCC(CN(C)C)C(=O)c1ccc(OCC)cc1)CN(C)C
Show InChI InChI=1S/C28H40N2O4/c1-7-33-25-15-11-21(12-16-25)27(31)23(19-29(3)4)9-10-24(20-30(5)6)28(32)22-13-17-26(18-14-22)34-8-2/h11-18,23-24H,7-10,19-20H2,1-6H3
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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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54259
PNG
((2Z,3Z)-2-[4-(4-ethoxyphenyl)-3H-1,3-thiazol-2-yli...)
Show SMILES CCOc1ccc(cc1)-c1csc([nH+]1)C(=C\[c-]1ccc(=O)c(c1)[N+]([O-])=O)\C#N
Show InChI InChI=1S/C20H14N3O4S/c1-2-27-16-6-4-14(5-7-16)17-12-28-20(22-17)15(11-21)9-13-3-8-19(24)18(10-13)23(25)26/h3-10,12H,2H2,1H3/q-1/p+1/b15-9+
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n/an/a 2.59E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54242
PNG
(1-[5-(2-Ethylsulfanyl-ethyl)-[1,3,4]thiadiazol-2-y...)
Show SMILES CCSCCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C14H15F3N4OS2/c1-2-23-7-6-11-20-21-13(24-11)19-12(22)18-10-5-3-4-9(8-10)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H2,18,19,21,22)
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n/an/a 2.68E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54425
PNG
(1-[1-(4-Acetyl-phenyl)-5-hydroxy-2-methyl-1H-indol...)
Show SMILES CC(=O)c1c(C)n(-c2ccc(cc2)C(C)=O)c2ccc(O)cc12
Show InChI InChI=1S/C19H17NO3/c1-11-19(13(3)22)17-10-16(23)8-9-18(17)20(11)15-6-4-14(5-7-15)12(2)21/h4-10,23H,1-3H3
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n/an/a 2.70E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54326
PNG
(3-bromanyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amin...)
Show SMILES CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C17H15BrN2O/c1-13(10-11-14-6-3-2-4-7-14)19-20-17(21)15-8-5-9-16(18)12-15/h2-12H,1H3,(H,20,21)
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n/an/a 2.70E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54394
PNG
(2-Chloro-N-{4-[4-(2-chloro-acetylamino)-phenylsulf...)
Show SMILES ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-9-15(21)19-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)
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n/an/a 2.71E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54524
PNG
(MLS001101361 | N-[1-(2-fluorophenyl)-4,5,6,7-tetra...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F
Show InChI InChI=1S/C18H18FN5O/c1-23-17(9-10-20-23)18(25)22-14-6-4-8-15-12(14)11-21-24(15)16-7-3-2-5-13(16)19/h2-3,5,7,9-11,14H,4,6,8H2,1H3,(H,22,25)
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n/an/a 2.71E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54186
PNG
(1-[5-(2,5-dichlorophenyl)-2-furanyl]-6,7-dimethoxy...)
Show SMILES COc1cc2CCN=C(c3ccc(o3)-c3cc(Cl)ccc3Cl)c2cc1OC
Show InChI InChI=1S/C21H17Cl2NO3/c1-25-19-9-12-7-8-24-21(14(12)11-20(19)26-2)18-6-5-17(27-18)15-10-13(22)3-4-16(15)23/h3-6,9-11H,7-8H2,1-2H3
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n/an/a 2.75E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54278
PNG
(MLS000374450 | N-[4-(1-benzofuran-2-yl)-1,3-thiazo...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc2ccccc2o1
Show InChI InChI=1S/C20H17N3O4S2/c1-23(2)29(25,26)15-9-7-13(8-10-15)19(24)22-20-21-16(12-28-20)18-11-14-5-3-4-6-17(14)27-18/h3-12H,1-2H3,(H,21,22,24)
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n/an/a 2.86E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54419
PNG
(1-(3-Allylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(4-fl...)
Show SMILES Fc1ccc(NC(=O)Nc2nc(SCC=C)ns2)cc1
Show InChI InChI=1S/C12H11FN4OS2/c1-2-7-19-12-16-11(20-17-12)15-10(18)14-9-5-3-8(13)4-6-9/h2-6H,1,7H2,(H2,14,15,16,17,18)
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n/an/a 2.93E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54245
PNG
(2-(4-Ethyl-phenoxy)-N-[3-methoxy-4-(2-oxo-2H-chrom...)
Show SMILES CCc1ccc(OCC(=O)Nc2ccc(c(OC)c2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C26H23NO5/c1-3-17-8-11-20(12-9-17)31-16-25(28)27-19-10-13-21(24(15-19)30-2)22-14-18-6-4-5-7-23(18)32-26(22)29/h4-15H,3,16H2,1-2H3,(H,27,28)
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n/an/a 2.94E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54478
PNG
(MLS001095185 | N-(3-chloranyl-4-methyl-phenyl)-1-[...)
Show SMILES CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C22H24ClN3O4S2/c1-13-3-4-16(11-18(13)23)24-22(28)15-7-9-26(10-8-15)32(29,30)17-5-6-20-19(12-17)25-21(27)14(2)31-20/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,28)(H,25,27)
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n/an/a 2.94E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54335
PNG
((5E)-5-[(2,5-dimethylphenyl)hydrazinylidene]-8-qui...)
Show SMILES Cc1ccc(C)c(c1)N=Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C17H15N3O/c1-11-5-6-12(2)15(10-11)20-19-14-7-8-16(21)17-13(14)4-3-9-18-17/h3-10,21H,1-2H3
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n/an/a 3.00E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54244
PNG
(Benzoic acid N'-(4-{5-[1-(2-chloro-phenyl)-met...)
Show SMILES Clc1ccccc1\C=C1/SC(=S)N(CCCC(=O)NNC(=O)c2ccccc2)C1=O
Show InChI InChI=1S/C21H18ClN3O3S2/c22-16-10-5-4-9-15(16)13-17-20(28)25(21(29)30-17)12-6-11-18(26)23-24-19(27)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,23,26)(H,24,27)/b17-13-
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n/an/a 3.04E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM54495
PNG
(4-tert-butylbenzoic acid [(Z)-[amino(2-pyridinyl)m...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)ON=C(N)c1ccccn1
Show InChI InChI=1S/C17H19N3O2/c1-17(2,3)13-9-7-12(8-10-13)16(21)22-20-15(18)14-6-4-5-11-19-14/h4-11H,1-3H3,(H2,18,20)
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n/an/a 3.04E+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/Q23R0R8T
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%