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Compile Data Set for Download or QSAR

Found 751 hits Enz. Inhib. hit(s) with Target = 'Nucleotide-binding oligomerization domain-containing protein 2'   
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 protein 2


(Homo sapiens)		BDBM50164885
PNG
(CHEBI:59414 | MURAMYLDIPEPTIDE | muramyldipeptide)
Show SMILES C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1
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PubMed
n/an/an/an/a 46n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at NOD2 receptor (unknown origin) expressed in HEK-Blue cells assessed as NF-kappaB transcriptional activity after 18 hrs by secrete...

Eur J Med Chem 116: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.030
BindingDB Entry DOI: 10.7270/Q2ZK5JJV
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)		BDBM50164886
PNG
(CHEMBL3798250)
Show SMILES CCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c1cc2ccc(cc2[nH]1)-c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C29H34N4O7/c1-4-39-26(35)14-13-22(29(38)40-5-2)33-27(36)18(3)31-25(34)17-30-28(37)24-16-21-12-11-20(15-23(21)32-24)19-9-7-6-8-10-19/h6-12,15-16,18,22,32H,4-5,13-14,17H2,1-3H3,(H,30,37)(H,31,34)(H,33,36)/t18-,22+/m0/s1
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n/an/an/an/a 2.88E+3n/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at NOD2 receptor (unknown origin) expressed in HEK-Blue cells assessed as NF-kappaB transcriptional activity after 18 hrs by secrete...

Eur J Med Chem 116: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.030
BindingDB Entry DOI: 10.7270/Q2ZK5JJV
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54496
PNG
(MLS001224047 | N-Cyclohexyl-2-(5H-[1,2,4]triazino[...)
Show SMILES CC(Sc1nnc2c(n1)[nH]c1ccccc21)C(=O)NC1CCCCC1
Show InChI InChI=1S/C18H21N5OS/c1-11(17(24)19-12-7-3-2-4-8-12)25-18-21-16-15(22-23-18)13-9-5-6-10-14(13)20-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,19,24)(H,20,21,23)
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n/an/a 9.89E+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)		BDBM54497
PNG
(3-chloranyl-N-[5-(4-methylpiperidin-1-yl)sulfonyl-...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1
Show InChI InChI=1S/C15H17ClN4O3S2/c1-10-5-7-20(8-6-10)25(22,23)15-19-18-14(24-15)17-13(21)11-3-2-4-12(16)9-11/h2-4,9-10H,5-8H2,1H3,(H,17,18,21)
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n/an/a 9.20E+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)		BDBM54498
PNG
(2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]me...)
Show SMILES Cc1oc(nc1CSCC(=O)NC1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN3O2S/c1-18-23(28-25(31-18)20-7-9-21(26)10-8-20)16-32-17-24(30)27-22-11-13-29(14-12-22)15-19-5-3-2-4-6-19/h2-10,22H,11-17H2,1H3,(H,27,30)
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n/an/a 3.08E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54499
PNG
(3-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-...)
Show SMILES COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H27N3O4S2/c1-24(2)14-8-15-25(22-23-21-18(29-3)11-7-12-19(21)30-22)20(26)13-16-31(27,28)17-9-5-4-6-10-17/h4-7,9-12H,8,13-16H2,1-3H3
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n/an/a 6.06E+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)		BDBM54500
PNG
(MLS001125373 | SMR000668691 | [4-(4-fluorophenyl)-...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C23H28FN3O3S/c1-18-5-6-19(17-22(18)31(29,30)27-11-3-2-4-12-27)23(28)26-15-13-25(14-16-26)21-9-7-20(24)8-10-21/h5-10,17H,2-4,11-16H2,1H3
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n/an/a 1.29E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54501
PNG
(MLS001060544 | N-[4-[(3-acetylphenyl)sulfamoyl]phe...)
Show SMILES CC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1
Show InChI InChI=1S/C20H23N3O4S/c1-15(24)16-6-5-7-18(14-16)22-28(26,27)19-10-8-17(9-11-19)21-20(25)23-12-3-2-4-13-23/h5-11,14,22H,2-4,12-13H2,1H3,(H,21,25)
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n/an/a 1.13E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54502
PNG
(CHEMBL1351584 | MLS001122908 | SMR000628306 | [5-[...)
Show SMILES CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClN3O3S/c1-16-14-18-15-21(8-9-22(18)27(16)23(28)17-2-3-17)31(29,30)26-12-10-25(11-13-26)20-6-4-19(24)5-7-20/h4-9,15-17H,2-3,10-14H2,1H3
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n/an/a 4.43E+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)		BDBM54503
PNG
(4-(4-brosylpiperazino)-5,6-dimethyl-thieno[2,3-d]p...)
Show SMILES Cc1sc2ncnc(N3CCN(CC3)S(=O)(=O)c3ccc(Br)cc3)c2c1C
Show InChI InChI=1S/C18H19BrN4O2S2/c1-12-13(2)26-18-16(12)17(20-11-21-18)22-7-9-23(10-8-22)27(24,25)15-5-3-14(19)4-6-15/h3-6,11H,7-10H2,1-2H3
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n/an/a 5.47E+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)		BDBM54504
PNG
(2-[(4-keto-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-...)
Show SMILES COc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C
Show InChI InChI=1S/C18H19N3O3S2/c1-10-11(2)26-16-15(10)17(23)21(3)18(20-16)25-9-14(22)19-12-7-5-6-8-13(12)24-4/h5-8H,9H2,1-4H3,(H,19,22)
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n/an/a 8.80E+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)		BDBM54505
PNG
((2Z)-4-methyl-2-(2-methylbenzylidene)-6-[4-(2-pyri...)
Show SMILES CN1C(=O)\C(Sc2ccc(cc12)C(=O)N1CCN(CC1)c1ccccn1)=C\c1ccccc1C
Show InChI InChI=1S/C27H26N4O2S/c1-19-7-3-4-8-20(19)18-24-27(33)29(2)22-17-21(10-11-23(22)34-24)26(32)31-15-13-30(14-16-31)25-9-5-6-12-28-25/h3-12,17-18H,13-16H2,1-2H3/b24-18-
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n/an/a 6.78E+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)		BDBM54506
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)...)
Show SMILES Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/a 1.00E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54507
PNG
(MLS000923731 | SMR000620026 | [2,5-dimethyl-4-(4-p...)
Show SMILES Cc1c(sc2nc(C)nc(N3CCN(CC3)c3ccccn3)c12)C(=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30FN7OS/c1-19-24-26(35-15-13-34(14-16-35)23-5-3-4-10-30-23)31-20(2)32-27(24)38-25(19)28(37)36-17-11-33(12-18-36)22-8-6-21(29)7-9-22/h3-10H,11-18H2,1-2H3
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n/an/a 6.95E+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)		BDBM54508
PNG
(1-(1-acetyl-2-methyl-indolin-5-yl)sulfonyl-N-(6-me...)
Show SMILES CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C23H28N4O4S/c1-15-5-4-6-22(24-15)25-23(29)18-9-11-26(12-10-18)32(30,31)20-7-8-21-19(14-20)13-16(2)27(21)17(3)28/h4-8,14,16,18H,9-13H2,1-3H3,(H,24,25,29)
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n/an/a 1.24E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54509
PNG
(4-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihy...)
Show SMILES COc1ccc(CCNC(=O)c2ccc3SCCN(Cc4ccccc4)c3c2)cc1OC
Show InChI InChI=1S/C26H28N2O3S/c1-30-23-10-8-19(16-24(23)31-2)12-13-27-26(29)21-9-11-25-22(17-21)28(14-15-32-25)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3,(H,27,29)
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n/an/a 7.53E+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)		BDBM54510
PNG
(5-chloranyl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2...)
Show SMILES CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H19ClN4O5S2/c1-3-25(15-7-5-4-6-8-15)32(29,30)16-11-9-14(10-12-16)23-19(26)18-17(21)13-22-20(24-18)31(2,27)28/h4-13H,3H2,1-2H3,(H,23,26)
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n/an/a 8.24E+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)		BDBM54511
PNG
(2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(4-pheny...)
Show SMILES CCc1ccc(cc1S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1)-c1cc(C)no1
Show InChI InChI=1S/C25H32N4O3S/c1-3-21-10-11-22(24-18-20(2)27-32-24)19-25(21)33(30,31)26-12-7-13-28-14-16-29(17-15-28)23-8-5-4-6-9-23/h4-6,8-11,18-19,26H,3,7,12-17H2,1-2H3
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n/an/a 4.26E+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)		BDBM54512
PNG
(5-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-...)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)-c1cc(C)no1
Show InChI InChI=1S/C21H22FN3O4S/c1-15-13-20(29-23-15)16-3-8-19(28-2)21(14-16)30(26,27)25-11-9-24(10-12-25)18-6-4-17(22)5-7-18/h3-8,13-14H,9-12H2,1-2H3
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n/an/a 4.32E+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)		BDBM54513
PNG
(3-methyl-5-[4-methyl-3-[4-(4-nitrophenyl)piperazin...)
Show SMILES Cc1cc(on1)-c1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H22N4O5S/c1-15-3-4-17(20-13-16(2)22-30-20)14-21(15)31(28,29)24-11-9-23(10-12-24)18-5-7-19(8-6-18)25(26)27/h3-8,13-14H,9-12H2,1-2H3
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n/an/a 7.60E+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)		BDBM54514
PNG
(MLS001116672 | N-[5-[(4-fluorobenzyl)-methyl-sulfa...)
Show SMILES CN(Cc1ccc(F)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C17H15FN4O3S2/c1-22(11-12-7-9-14(18)10-8-12)27(24,25)17-21-20-16(26-17)19-15(23)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20,23)
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n/an/a 1.67E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54515
PNG
(MLS001100821 | N-[1-(2,3-dimethylphenyl)-4,5,6,7-t...)
Show SMILES CC1=C(OCCO1)C(=O)NC1CCCc2c1cnn2-c1cccc(C)c1C
Show InChI InChI=1S/C21H25N3O3/c1-13-6-4-8-18(14(13)2)24-19-9-5-7-17(16(19)12-22-24)23-21(25)20-15(3)26-10-11-27-20/h4,6,8,12,17H,5,7,9-11H2,1-3H3,(H,23,25)
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n/an/a 1.16E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54516
PNG
(MLS001060553 | N-[4-(4-o-toluoylpiperazino)phenyl]...)
Show SMILES Cc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C27H27N3O4/c1-19-4-2-3-5-23(19)27(32)30-14-12-29(13-15-30)22-9-7-21(8-10-22)28-26(31)20-6-11-24-25(18-20)34-17-16-33-24/h2-11,18H,12-17H2,1H3,(H,28,31)
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n/an/a 3.60E+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)		BDBM54517
PNG
(1-butyl-3-[4-(2-furoyl)piperazino]-5,6,7,8-tetrahy...)
Show SMILES CCCCc1nc(N2CCN(CC2)C(=O)c2ccco2)c(C#N)c2CCCCc12
Show InChI InChI=1S/C23H28N4O2/c1-2-3-9-20-18-8-5-4-7-17(18)19(16-24)22(25-20)26-11-13-27(14-12-26)23(28)21-10-6-15-29-21/h6,10,15H,2-5,7-9,11-14H2,1H3
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n/an/a 1.22E+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/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)		BDBM54519
PNG
(4-bromanyl-2,5-dimethyl-N-(pyridin-4-ylmethyl)benz...)
Show SMILES Cc1cc(c(C)cc1Br)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C14H15BrN2O2S/c1-10-8-14(11(2)7-13(10)15)20(18,19)17-9-12-3-5-16-6-4-12/h3-8,17H,9H2,1-2H3
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n/an/a 1.79E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54520
PNG
(MLS001072146 | N-[4-(2-ethylpiperidin-1-yl)sulfony...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C19H23N3O3S/c1-2-17-5-3-4-14-22(17)26(24,25)18-8-6-16(7-9-18)21-19(23)15-10-12-20-13-11-15/h6-13,17H,2-5,14H2,1H3,(H,21,23)
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n/an/a 1.17E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54521
PNG
(1-N'-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroind...)
Show SMILES Cc1cccc(c1C)-n1ncc2C(CCCc12)NC(=O)C1(CC1)C(N)=O
Show InChI InChI=1S/C20H24N4O2/c1-12-5-3-7-16(13(12)2)24-17-8-4-6-15(14(17)11-22-24)23-19(26)20(9-10-20)18(21)25/h3,5,7,11,15H,4,6,8-10H2,1-2H3,(H2,21,25)(H,23,26)
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n/an/a 1.62E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54522
PNG
(MLS001090330 | N-[(1-ethyl-3,5-dimethyl-4-pyrazoly...)
Show SMILES CCn1nc(C)c(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c1C
Show InChI InChI=1S/C26H33N5O2/c1-4-31-20(3)25(19(2)29-31)17-28-26(32)21-8-10-23(11-9-21)33-24-12-15-30(16-13-24)18-22-7-5-6-14-27-22/h5-11,14,24H,4,12-13,15-18H2,1-3H3,(H,28,32)
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n/an/a 9.64E+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)		BDBM54523
PNG
(2-(4-(3-(2-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl...)
Show SMILES Cc1ccc(cc1)-c1csc(n1)N1CCN(CCCn2c(nc3ccccc23)-c2ccncc2)CC1
Show InChI InChI=1S/C29H30N6S/c1-22-7-9-23(10-8-22)26-21-36-29(32-26)34-19-17-33(18-20-34)15-4-16-35-27-6-3-2-5-25(27)31-28(35)24-11-13-30-14-12-24/h2-3,5-14,21H,4,15-20H2,1H3
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n/an/a 4.62E+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)		BDBM54525
PNG
(2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc3oc(SC(C)C(N)=O)nc3c2)cc1
Show InChI InChI=1S/C17H17N3O5S2/c1-10(16(18)21)26-17-19-14-9-13(7-8-15(14)25-17)27(22,23)20-11-3-5-12(24-2)6-4-11/h3-10,20H,1-2H3,(H2,18,21)
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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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54526
PNG
(MLS001159274 | N-[3-(diethylsulfamoyl)phenyl]-2-(3...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1
Show InChI InChI=1S/C22H30N4O5S2/c1-3-25(4-2)32(28,29)21-12-8-10-19(16-21)24-22(27)17-23-18-9-7-11-20(15-18)33(30,31)26-13-5-6-14-26/h7-12,15-16,23H,3-6,13-14,17H2,1-2H3,(H,24,27)
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n/an/a 3.47E+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)		BDBM54527
PNG
(MLS001151142 | N-(3-chloranylpyridin-4-yl)-2-(4-me...)
Show SMILES COc1ccc(CC(=O)Nc2ccncc2Cl)cc1
Show InChI InChI=1S/C14H13ClN2O2/c1-19-11-4-2-10(3-5-11)8-14(18)17-13-6-7-16-9-12(13)15/h2-7,9H,8H2,1H3,(H,16,17,18)
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n/an/a 1.78E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54528
PNG
(5-bromanyl-2-oxidanyl-N-(1-pyridin-2-ylethylidenea...)
Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1ccccn1
Show InChI InChI=1S/C14H12BrN3O2/c1-9(12-4-2-3-7-16-12)17-18-14(20)11-8-10(15)5-6-13(11)19/h2-8,19H,1H3,(H,18,20)
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n/an/a 6.48E+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)		BDBM54529
PNG
(4-chloranyl-N-(pyridin-2-ylmethylideneamino)benzam...)
Show SMILES Clc1ccc(cc1)C(=O)NN=Cc1ccccn1
Show InChI InChI=1S/C13H10ClN3O/c14-11-6-4-10(5-7-11)13(18)17-16-9-12-3-1-2-8-15-12/h1-9H,(H,17,18)
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n/an/a 7.15E+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)		BDBM54530
PNG
((4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)m...)
Show SMILES O=C(C1C(N(C(=O)C1=O)c1nccs1)c1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C22H16N2O5S/c25-19(14-6-7-15-16(12-14)29-10-9-28-15)17-18(13-4-2-1-3-5-13)24(21(27)20(17)26)22-23-8-11-30-22/h1-8,11-12,17-18H,9-10H2
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n/an/a 1.86E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54531
PNG
(2-(2-keto-4-phenyl-chromen-7-yl)oxy-N-(3-pyridyl)a...)
Show SMILES O=C(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)Nc1cccnc1
Show InChI InChI=1S/C22H16N2O4/c25-21(24-16-7-4-10-23-13-16)14-27-17-8-9-18-19(15-5-2-1-3-6-15)12-22(26)28-20(18)11-17/h1-13H,14H2,(H,24,25)
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n/an/a 1.08E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54532
PNG
(2-[[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulf...)
Show SMILES Cc1ccc2N(CCCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C24H22N2O5S/c1-16-11-12-22-17(14-16)7-5-13-26(22)32(30,31)19-8-4-6-18(15-19)23(27)25-21-10-3-2-9-20(21)24(28)29/h2-4,6,8-12,14-15H,5,7,13H2,1H3,(H,25,27)(H,28,29)
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n/an/a 1.59E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54533
PNG
(3-bromanyl-N-[cyclohexyl(methyl)carbamothioyl]-4-m...)
Show SMILES COc1ccc(cc1Br)C(=O)NC(=S)N(C)C1CCCCC1
Show InChI InChI=1S/C16H21BrN2O2S/c1-19(12-6-4-3-5-7-12)16(22)18-15(20)11-8-9-14(21-2)13(17)10-11/h8-10,12H,3-7H2,1-2H3,(H,18,20,22)
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n/an/a 6.75E+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)		BDBM54534
PNG
(2-fluoranyl-N-(1-pyridin-2-ylethylideneamino)benza...)
Show SMILES CC(=NNC(=O)c1ccccc1F)c1ccccn1
Show InChI InChI=1S/C14H12FN3O/c1-10(13-8-4-5-9-16-13)17-18-14(19)11-6-2-3-7-12(11)15/h2-9H,1H3,(H,18,19)
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n/an/a 3.76E+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)		BDBM54535
PNG
(MLS001123669 | N-[(5-nitro-2-thienyl)methyleneamin...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)C2COc3ccccc3O2)s1
Show InChI InChI=1S/C14H11N3O5S/c18-14(12-8-21-10-3-1-2-4-11(10)22-12)16-15-7-9-5-6-13(23-9)17(19)20/h1-7,12H,8H2,(H,16,18)/b15-7+
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n/an/a 1.62E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54536
PNG
(MLS001141949 | N-(3-chloranylpyridin-4-yl)-2-(2,4-...)
Show SMILES Clc1ccc(CC(=O)Nc2ccncc2Cl)c(Cl)c1
Show InChI InChI=1S/C13H9Cl3N2O/c14-9-2-1-8(10(15)6-9)5-13(19)18-12-3-4-17-7-11(12)16/h1-4,6-7H,5H2,(H,17,18,19)
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n/an/a 6.02E+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)		BDBM54537
PNG
(MLS001147769 | N-[3-(4-acetylanilino)-2-quinoxalin...)
Show SMILES CC(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C20H16N4O3S2/c1-13(25)14-8-10-15(11-9-14)21-19-20(23-17-6-3-2-5-16(17)22-19)24-29(26,27)18-7-4-12-28-18/h2-12H,1H3,(H,21,22)(H,23,24)
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n/an/a 9.59E+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)		BDBM54538
PNG
(MLS001201699 | N-(2,2-dichloro-1-tosyl-vinyl)-4-me...)
Show SMILES COc1ccc(cc1)C(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H15Cl2NO4S/c1-11-3-9-14(10-4-11)25(22,23)17(15(18)19)20-16(21)12-5-7-13(24-2)8-6-12/h3-10H,1-2H3,(H,20,21)
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n/an/a 8.96E+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)		BDBM54539
PNG
(2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-meth...)
Show SMILES COc1ccc(C)cc1NC(=O)CSc1ccc(nn1)-c1ccco1
Show InChI InChI=1S/C18H17N3O3S/c1-12-5-7-15(23-2)14(10-12)19-17(22)11-25-18-8-6-13(20-21-18)16-4-3-9-24-16/h3-10H,11H2,1-2H3,(H,19,22)
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n/an/a 9.49E+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)		BDBM54540
PNG
(MLS001235598 | N-(3-chlorophenyl)-2-[6-(2,4-dimeth...)
Show SMILES Cc1nc(C)c(s1)-c1ccc(SCC(=O)Nc2cccc(Cl)c2)nn1
Show InChI InChI=1S/C17H15ClN4OS2/c1-10-17(25-11(2)19-10)14-6-7-16(22-21-14)24-9-15(23)20-13-5-3-4-12(18)8-13/h3-8H,9H2,1-2H3,(H,20,23)
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n/an/a 4.58E+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)		BDBM54541
PNG
(2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl...)
Show SMILES COc1ccc(C)cc1NC(=O)CSc1ccc(nn1)-c1sc(C)nc1C
Show InChI InChI=1S/C19H20N4O2S2/c1-11-5-7-16(25-4)15(9-11)21-17(24)10-26-18-8-6-14(22-23-18)19-12(2)20-13(3)27-19/h5-9H,10H2,1-4H3,(H,21,24)
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n/an/a 1.07E+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/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)		BDBM54153
PNG
(1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O
Show InChI InChI=1S/C18H18N4O3/c1-2-3-10-22-13-7-5-4-6-12(13)16(23)15(18(22)25)17(24)21-14-11-19-8-9-20-14/h4-9,11,23H,2-3,10H2,1H3,(H,20,21,24)
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n/an/a 7.07E+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)		BDBM54154
PNG
(2-(7-Butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
Show SMILES CCCCn1c(SCC(=O)Nc2nnc(s2)C(C)C)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H25N7O3S2/c1-6-7-8-25-12-13(23(4)18(28)24(5)15(12)27)20-17(25)29-9-11(26)19-16-22-21-14(30-16)10(2)3/h10H,6-9H2,1-5H3,(H,19,22,26)
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n/an/a 9.58E+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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