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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' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM62288
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(tr...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C24H21F3N2O2/c25-24(26,27)31-22-11-9-21(10-12-22)28-23(30)19-7-5-17(6-8-19)15-29-14-13-18-3-1-2-4-20(18)16-29/h1-12H,13-16H2,(H,28,30)
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62288
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(tr...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C24H21F3N2O2/c25-24(26,27)31-22-11-9-21(10-12-22)28-23(30)19-7-5-17(6-8-19)15-29-14-13-18-3-1-2-4-20(18)16-29/h1-12H,13-16H2,(H,28,30)
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n/an/a 30n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay


Citation and Details
More data for this
Ligand-Target Pair
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62251
PNG
(MLS-0412140.0001 | cid_44182145 | cyclopropyl-[2-m...)
Show SMILES CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O5S/c1-16-14-18-15-21(8-9-22(18)26(16)23(28)17-2-3-17)33(31,32)25-12-10-24(11-13-25)19-4-6-20(7-5-19)27(29)30/h4-9,15-17H,2-3,10-14H2,1H3
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62251
PNG
(MLS-0412140.0001 | cid_44182145 | cyclopropyl-[2-m...)
Show SMILES CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O5S/c1-16-14-18-15-21(8-9-22(18)26(16)23(28)17-2-3-17)33(31,32)25-12-10-24(11-13-25)19-4-6-20(7-5-19)27(29)30/h4-9,15-17H,2-3,10-14H2,1H3
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n/an/a 200n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62261
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-met...)
Show SMILES CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C24H24N2OS/c1-28-23-12-10-22(11-13-23)25-24(27)20-8-6-18(7-9-20)16-26-15-14-19-4-2-3-5-21(19)17-26/h2-13H,14-17H2,1H3,(H,25,27)
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n/an/a 260n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62261
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-met...)
Show SMILES CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C24H24N2OS/c1-28-23-12-10-22(11-13-23)25-24(27)20-8-6-18(7-9-20)16-26-15-14-19-4-2-3-5-21(19)17-26/h2-13H,14-17H2,1H3,(H,25,27)
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n/an/a 260n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62257
PNG
(MLS-0360553.0001 | cid_20901691 | cyclopropyl-[5-[...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(=O)C1CC1
Show InChI InChI=1S/C24H29N3O4S/c1-17-15-19-16-22(9-10-23(19)27(17)24(28)18-3-4-18)32(29,30)26-13-11-25(12-14-26)20-5-7-21(31-2)8-6-20/h5-10,16-18H,3-4,11-15H2,1-2H3
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n/an/a 390n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62257
PNG
(MLS-0360553.0001 | cid_20901691 | cyclopropyl-[5-[...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(=O)C1CC1
Show InChI InChI=1S/C24H29N3O4S/c1-17-15-19-16-22(9-10-23(19)27(17)24(28)18-3-4-18)32(29,30)26-13-11-25(12-14-26)20-5-7-21(31-2)8-6-20/h5-10,16-18H,3-4,11-15H2,1-2H3
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n/an/a 390n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 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 400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 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 400n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM59544
PNG
(4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-eth...)
Show SMILES CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C25H26N2O2/c1-2-29-24-13-11-23(12-14-24)26-25(28)21-9-7-19(8-10-21)17-27-16-15-20-5-3-4-6-22(20)18-27/h3-14H,2,15-18H2,1H3,(H,26,28)
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n/an/a 570n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62249
PNG
(1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-...)
Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN3O3S/c1-3-22(27)26-16(2)14-17-15-20(8-9-21(17)26)30(28,29)25-12-10-24(11-13-25)19-6-4-18(23)5-7-19/h4-9,15-16H,3,10-14H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62249
PNG
(1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-...)
Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN3O3S/c1-3-22(27)26-16(2)14-17-15-20(8-9-21(17)26)30(28,29)25-12-10-24(11-13-25)19-6-4-18(23)5-7-19/h4-9,15-16H,3,10-14H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM65733
PNG
(3-methyl-8-nitro-7-(phenylmethyl)purine-2,6-dione ...)
Show SMILES Cn1c2nc(n(Cc3ccccc3)c2c(=O)[nH]c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O4/c1-16-10-9(11(19)15-13(16)20)17(12(14-10)18(21)22)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,19,20)
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n/an/a 748n/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)

More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM65733
PNG
(3-methyl-8-nitro-7-(phenylmethyl)purine-2,6-dione ...)
Show SMILES Cn1c2nc(n(Cc3ccccc3)c2c(=O)[nH]c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O4/c1-16-10-9(11(19)15-13(16)20)17(12(14-10)18(21)22)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,19,20)
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n/an/a 750n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62295
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-met...)
Show SMILES COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C24H24N2O2/c1-28-23-12-10-22(11-13-23)25-24(27)20-8-6-18(7-9-20)16-26-15-14-19-4-2-3-5-21(19)17-26/h2-13H,14-17H2,1H3,(H,25,27)
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n/an/a 780n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM62340
PNG
(MLS-0425706.0001 | N-[(4S)-1-(2-fluorophenyl)-4,5,...)
Show SMILES Cn1nccc1C(=O)N[C@H]1CCCc2c1cnn2-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)/t14-/m0/s1
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n/an/a 1.12E+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)

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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM41203
PNG
(2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...)
Show SMILES CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H24N6O3S2/c1-4-9-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)29-10-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h4-10H2,1-3H3,(H,20,21,26)
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n/an/a 1.20E+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)

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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM62338
PNG
(MLS-0425704.0001 | N-[1-(2-fluorophenyl)-4,5,6,7-t...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1
Show InChI InChI=1S/C25H24FN5O2/c1-30-24(14-21(29-30)16-10-12-17(33-2)13-11-16)25(32)28-20-7-5-9-22-18(20)15-27-31(22)23-8-4-3-6-19(23)26/h3-4,6,8,10-15,20H,5,7,9H2,1-2H3,(H,28,32)
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n/an/a 1.34E+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)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM65735
PNG
(7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...)
Show SMILES CCCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C22H29ClN6O2/c1-4-5-9-29-18(24-20-19(29)21(30)26(3)22(31)25(20)2)15-27-10-12-28(13-11-27)17-8-6-7-16(23)14-17/h6-8,14H,4-5,9-13,15H2,1-3H3
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n/an/a 1.41E+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)

More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62245
PNG
(1-[2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sul...)
Show SMILES CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H24N4O5S/c1-15-13-17-14-20(7-8-21(17)24(15)16(2)26)31(29,30)23-11-9-22(10-12-23)18-3-5-19(6-4-18)25(27)28/h3-8,14-15H,9-13H2,1-2H3
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n/an/a 1.41E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM54470
PNG
(1-[2-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sul...)
Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H26N4O5S/c1-3-22(27)25-16(2)14-17-15-20(8-9-21(17)25)32(30,31)24-12-10-23(11-13-24)18-4-6-19(7-5-18)26(28)29/h4-9,15-16H,3,10-14H2,1-2H3
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n/an/a 1.55E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62250
PNG
(1-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-...)
Show SMILES CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C24H29N3O4S/c1-4-24(29)27-17(2)15-20-16-22(9-10-23(20)27)32(30,31)26-13-11-25(12-14-26)21-7-5-19(6-8-21)18(3)28/h5-10,16-17H,4,11-15H2,1-3H3
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n/an/a 1.58E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62302
PNG
(MLS-0425608.0001 | N-(4-bromophenyl)-4-(3,4-dihydr...)
Show SMILES Brc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C23H21BrN2O/c24-21-9-11-22(12-10-21)25-23(27)19-7-5-17(6-8-19)15-26-14-13-18-3-1-2-4-20(18)16-26/h1-12H,13-16H2,(H,25,27)
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n/an/a 1.62E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM62302
PNG
(MLS-0425608.0001 | N-(4-bromophenyl)-4-(3,4-dihydr...)
Show SMILES Brc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C23H21BrN2O/c24-21-9-11-22(12-10-21)25-23(27)19-7-5-17(6-8-19)15-26-14-13-18-3-1-2-4-20(18)16-26/h1-12H,13-16H2,(H,25,27)
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n/an/a 1.62E+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)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens)
BDBM62339
PNG
(5-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-4,5,6,7-t...)
Show SMILES Cn1nc(cc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClFN5O/c1-30-23(13-20(29-30)15-9-11-16(25)12-10-15)24(32)28-19-6-4-8-21-17(19)14-27-31(21)22-7-3-2-5-18(22)26/h2-3,5,7,9-14,19H,4,6,8H2,1H3,(H,28,32)
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n/an/a 1.72E+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)

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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62246
PNG
(1-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-...)
Show SMILES CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClN3O3S/c1-15-13-17-14-20(7-8-21(17)25(15)16(2)26)29(27,28)24-11-9-23(10-12-24)19-5-3-18(22)4-6-19/h3-8,14-15H,9-13H2,1-2H3
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n/an/a 1.75E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens)
BDBM62240
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-flu...)
Show SMILES Fc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C23H21FN2O/c24-21-9-11-22(12-10-21)25-23(27)19-7-5-17(6-8-19)15-26-14-13-18-3-1-2-4-20(18)16-26/h1-12H,13-16H2,(H,25,27)
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n/an/a 1.85E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
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