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Compile Data Set for Download or QSAR

Found 1071 hits Enz. Inhib. hit(s) with Target = 'nucleotide-binding oligomerization domain containing 1'   
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 1


(Homo sapiens)
BDBM50185
PNG
(2-hydroxy-4-({4-[5-(2-methyl-3-phenyl-2-propen-1-y...)
Show SMILES C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1H3,(H,25,28)(H,30,31)/b15-12+,20-13-
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n/an/a 20.1n/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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens)
BDBM62265
PNG
(2-(4-tert-butylphenyl)-1,3-benzothiazole | MLS-041...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C17H17NS/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3
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n/an/a 31.8n/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 1


(Homo sapiens)
BDBM44245
PNG
(2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroan...)
Show SMILES COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN4O3S/c1-12(23-14-9-7-13(22)8-10-14)19-16(11-18(27)29-2)25-26(20(19)28)21-24-15-5-3-4-6-17(15)30-21/h3-10,25H,11H2,1-2H3
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n/an/a 39.1n/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 1


(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 39.1n/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 1


(Homo sapiens)
BDBM52783
PNG
(2-[(4E)-4-(1-anilinoethylidene)-1-(1,3-benzothiazo...)
Show SMILES COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1
Show InChI InChI=1S/C21H18N4O3S/c1-13(22-14-8-4-3-5-9-14)19-16(12-18(26)28-2)24-25(20(19)27)21-23-15-10-6-7-11-17(15)29-21/h3-11,24H,12H2,1-2H3
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n/an/a 39.1n/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 1


(Homo sapiens)
BDBM62271
PNG
(MLS-0378444.0001 | N-[1-(3,4-dimethylphenyl)-4,5,6...)
Show SMILES Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n(C)n1
Show InChI InChI=1S/C21H25N5O/c1-13-8-9-16(10-14(13)2)26-19-7-5-6-18(17(19)12-22-26)23-21(27)20-11-15(3)24-25(20)4/h8-12,18H,5-7H2,1-4H3,(H,23,27)
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n/an/a 43.1n/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 1


(Homo sapiens)
BDBM58651
PNG
(4-[4-[(5Z)-5-(4-ethylbenzylidene)-4-keto-2-thioxo-...)
Show SMILES CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C23H22N2O4S2/c1-2-15-5-7-16(8-6-15)14-19-21(27)25(23(30)31-19)13-3-4-20(26)24-18-11-9-17(10-12-18)22(28)29/h5-12,14H,2-4,13H2,1H3,(H,24,26)(H,28,29)/b19-14-
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n/an/a 71.8n/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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(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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Article
n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(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 80n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD1 (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 1


(Homo sapiens)
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens)
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 90n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD1 (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 1


(Homo sapiens)
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 94n/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 1


(Homo sapiens)
BDBM54393
PNG
(2,2-dimethyl-N-[N'-(5-methyl-1,3-benzoxazol-2-yl)a...)
Show SMILES Cc1ccc2oc(N=C(N)NC(=O)C(C)(C)C)nc2c1
Show InChI InChI=1S/C14H18N4O2/c1-8-5-6-10-9(7-8)16-13(20-10)18-12(15)17-11(19)14(2,3)4/h5-7H,1-4H3,(H3,15,16,17,18,19)
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n/an/a 94.9n/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 1


(Homo sapiens)
BDBM62269
PNG
(MLS-0384970.0001 | N-[1-(2,3-dimethylphenyl)-4,5,6...)
Show SMILES CCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
Show InChI InChI=1S/C22H27N5O/c1-5-16-12-21(26(4)25-16)22(28)24-18-9-7-11-20-17(18)13-23-27(20)19-10-6-8-14(2)15(19)3/h6,8,10,12-13,18H,5,7,9,11H2,1-4H3,(H,24,28)
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n/an/a 98.3n/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 1


(Homo sapiens)
BDBM45060
PNG
(4-({4-[5-(2-methyl-3-phenyl-2-propen-1-ylidene)-4-...)
Show SMILES C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C24H22N2O4S2/c1-16(14-17-6-3-2-4-7-17)15-20-22(28)26(24(31)32-20)13-5-8-21(27)25-19-11-9-18(10-12-19)23(29)30/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,27)(H,29,30)/b16-14+,20-15-
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n/an/a 105n/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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens)
BDBM62310
PNG
(MLS-0425625.0001 | N-[1-(2-fluorophenyl)-4,5,6,7-t...)
Show SMILES Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1
Show InChI InChI=1S/C19H20FN5O/c1-12-10-18(24(2)23-12)19(26)22-15-7-5-9-16-13(15)11-21-25(16)17-8-4-3-6-14(17)20/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,22,26)
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n/an/a 146n/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 1


(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 150n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD1 (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 1


(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 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens)
BDBM64828
PNG
(2-hydroxy-4-[4-[(5Z)-4-keto-2-thioxo-5-veratrylide...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(O)=O)c(O)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H22N2O7S2/c1-31-17-8-5-13(10-18(17)32-2)11-19-21(28)25(23(33)34-19)9-3-4-20(27)24-14-6-7-15(22(29)30)16(26)12-14/h5-8,10-12,26H,3-4,9H2,1-2H3,(H,24,27)(H,29,30)/b19-11-
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n/an/a 151n/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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(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 152n/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 1


(Homo sapiens)
BDBM62233
PNG
(4-chloranyl-N-(2-methyl-5-nitro-phenyl)-1-oxidanyl...)
Show SMILES Cc1ccc(cc1NC(=O)c1cc(Cl)c2ccccc2c1O)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN2O4/c1-10-6-7-11(21(24)25)8-16(10)20-18(23)14-9-15(19)12-4-2-3-5-13(12)17(14)22/h2-9,22H,1H3,(H,20,23)
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n/an/a 170n/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 1


(Homo sapiens)
BDBM50044276
PNG
(CHEMBL3321858)
Show SMILES CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2CCCc2c1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H30N4O2/c1-35(32(38)26-14-13-22-7-2-3-8-24(22)19-26)18-17-30-34-28-11-4-5-12-29(28)36(30)21-31(37)33-27-16-15-23-9-6-10-25(23)20-27/h2-5,7-8,11-16,19-20H,6,9-10,17-18,21H2,1H3,(H,33,37)
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n/an/a 200n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD1 (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 1


(Homo sapiens)
BDBM62272
PNG
(MLS-0375912.0001 | N-[1-(4-tert-butylphenyl)-4,5,6...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N5O/c1-22(2,3)15-8-10-16(11-9-15)27-19-7-5-6-18(17(19)14-24-27)25-21(28)20-12-13-23-26(20)4/h8-14,18H,5-7H2,1-4H3,(H,25,28)
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n/an/a 232n/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 1


(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 240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(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 240n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD1 (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 1


(Homo sapiens)
BDBM61153
PNG
(3-[4-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O4S2/c1-14-7-9-15(10-8-14)12-18-20(26)24(22(29)30-18)11-3-6-19(25)23-17-5-2-4-16(13-17)21(27)28/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,23,25)(H,27,28)/b18-12-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(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 243n/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 1


(Homo sapiens)
BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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n/an/a 257n/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 1


(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 260n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD1 (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 1


(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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TBA

Assay Description
Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(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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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 1


(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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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 1


(Homo sapiens)
BDBM62279
PNG
(2-hydroxybenzoic acid [2-[2,5-dimethyl-1-(2-thenyl...)
Show SMILES Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1Cc1cccs1
Show InChI InChI=1S/C20H19NO4S/c1-13-10-17(14(2)21(13)11-15-6-5-9-26-15)19(23)12-25-20(24)16-7-3-4-8-18(16)22/h3-10,22H,11-12H2,1-2H3
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n/an/a 285n/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 1


(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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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 1


(Homo sapiens)
BDBM61652
PNG
(2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethyle...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C21H18N2O5S2/c24-16-12-14(8-9-15(16)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens)
BDBM64829
PNG
(2-hydroxy-4-[4-[(5Z)-4-keto-5-piperonylidene-2-thi...)
Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1O
Show InChI InChI=1S/C22H18N2O7S2/c25-15-10-13(4-5-14(15)21(28)29)23-19(26)2-1-7-24-20(27)18(33-22(24)32)9-12-3-6-16-17(8-12)31-11-30-16/h3-6,8-10,25H,1-2,7,11H2,(H,23,26)(H,28,29)/b18-9-
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(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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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 1


(Homo sapiens)
BDBM41612
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-mor...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C27H29N3O4S/c31-27(28-25-9-11-26(12-10-25)35(32,33)30-15-17-34-18-16-30)23-7-5-21(6-8-23)19-29-14-13-22-3-1-2-4-24(22)20-29/h1-12H,13-20H2,(H,28,31)
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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 1


(Homo sapiens)
BDBM62298
PNG
(2-[(4-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahy...)
Show SMILES CC1CCc2c(C1)sc(NC(=O)c1ccc(Br)cc1)c2C(O)=O
Show InChI InChI=1S/C17H16BrNO3S/c1-9-2-7-12-13(8-9)23-16(14(12)17(21)22)19-15(20)10-3-5-11(18)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,19,20)(H,21,22)
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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 1


(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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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 1


(Homo sapiens)
BDBM50044275
PNG
(CHEMBL3321857)
Show SMILES CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2CCCc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C28H28N4O2/c1-31(28(34)21-8-3-2-4-9-21)17-16-26-30-24-12-5-6-13-25(24)32(26)19-27(33)29-23-15-14-20-10-7-11-22(20)18-23/h2-6,8-9,12-15,18H,7,10-11,16-17,19H2,1H3,(H,29,33)
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n/an/a 400n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD1 (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 1


(Homo sapiens)
BDBM62234
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyr...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)c1ccc(CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C27H29N3O3S/c31-27(28-25-11-13-26(14-12-25)34(32,33)30-16-3-4-17-30)23-9-7-21(8-10-23)19-29-18-15-22-5-1-2-6-24(22)20-29/h1-2,5-14H,3-4,15-20H2,(H,28,31)
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PCBioAssay
n/an/a 418n/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 1


(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 429n/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 1


(Homo sapiens)
BDBM62232
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pip...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C28H31N3O3S/c32-28(29-26-12-14-27(15-13-26)35(33,34)31-17-4-1-5-18-31)24-10-8-22(9-11-24)20-30-19-16-23-6-2-3-7-25(23)21-30/h2-3,6-15H,1,4-5,16-21H2,(H,29,32)
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n/an/a 432n/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 1


(Homo sapiens)
BDBM62170
PNG
(1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16)
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n/an/a 485n/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 1


(Homo sapiens)
BDBM67405
PNG
((1-p-cumenylsulfonylbenzimidazol-2-yl)amine | 1-(4...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C16H17N3O2S/c1-11(2)12-7-9-13(10-8-12)22(20,21)19-15-6-4-3-5-14(15)18-16(19)17/h3-11H,1-2H3,(H2,17,18)
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n/an/a 495n/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 1


(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 506n/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 1


(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 510n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...


Citation and Details
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(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 510n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD1 (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 1


(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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TBA

Assay Description
Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...


Citation and Details
More data for this
Ligand-Target Pair
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