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1 similar compounds to monomer 56817

Compile data set for download or QSAR
Wt: 385.3
BDBM54533
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 54533   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
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 1


(Homo sapiens (Human))
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/an/an/a 2.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
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>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/Q2PR7TDC
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
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)
PDB
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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/Q2Z899VD
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
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)
PDB

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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/Q2TH8K43
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
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)
PDB
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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/Q25M6443
More data for this
Ligand-Target Pair