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2 similar compounds to monomer 87565

Compile data set for download or QSAR
Wt: 317.1
BDBM60859
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Wt: 373.2
BDBM50123311

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 60859,50123311   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM60859
PNG
(5-[(5-bromanylthiophen-2-yl)methylidene]-2-sulfany...)
Show SMILES Brc1ccc(C=C2C(=O)NC(=S)NC2=O)s1
Show InChI InChI=1S/C9H5BrN2O2S2/c10-6-2-1-4(16-6)3-5-7(13)11-9(15)12-8(5)14/h1-3H,(H2,11,12,13,14,15)
PDB
MMDB

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PCBioAssay
n/an/a>1.21E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM60859
PNG
(5-[(5-bromanylthiophen-2-yl)methylidene]-2-sulfany...)
Show SMILES Brc1ccc(C=C2C(=O)NC(=S)NC2=O)s1
Show InChI InChI=1S/C9H5BrN2O2S2/c10-6-2-1-4(16-6)3-5-7(13)11-9(15)12-8(5)14/h1-3H,(H2,11,12,13,14,15)
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n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM60859
PNG
(5-[(5-bromanylthiophen-2-yl)methylidene]-2-sulfany...)
Show SMILES Brc1ccc(C=C2C(=O)NC(=S)NC2=O)s1
Show InChI InChI=1S/C9H5BrN2O2S2/c10-6-2-1-4(16-6)3-5-7(13)11-9(15)12-8(5)14/h1-3H,(H2,11,12,13,14,15)
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n/an/an/an/a 7.68E+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/Q29G5K8R
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens (Human))
BDBM50123311
PNG
(5-(5-Bromo-thiophen-2-ylmethylene)-1,3-diethyl-2-t...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2ccc(Br)s2)C1=O
Show InChI InChI=1S/C13H13BrN2O2S2/c1-3-15-11(17)9(7-8-5-6-10(14)20-8)12(18)16(4-2)13(15)19/h5-7H,3-4H2,1-2H3
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Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM60859
PNG
(5-[(5-bromanylthiophen-2-yl)methylidene]-2-sulfany...)
Show SMILES Brc1ccc(C=C2C(=O)NC(=S)NC2=O)s1
Show InChI InChI=1S/C9H5BrN2O2S2/c10-6-2-1-4(16-6)3-5-7(13)11-9(15)12-8(5)14/h1-3H,(H2,11,12,13,14,15)
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n/an/an/an/a 6.16E+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/Q2J101NV
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM60859
PNG
(5-[(5-bromanylthiophen-2-yl)methylidene]-2-sulfany...)
Show SMILES Brc1ccc(C=C2C(=O)NC(=S)NC2=O)s1
Show InChI InChI=1S/C9H5BrN2O2S2/c10-6-2-1-4(16-6)3-5-7(13)11-9(15)12-8(5)14/h1-3H,(H2,11,12,13,14,15)
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n/an/an/an/a 5.97E+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/Q2J38R0R
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM60859
PNG
(5-[(5-bromanylthiophen-2-yl)methylidene]-2-sulfany...)
Show SMILES Brc1ccc(C=C2C(=O)NC(=S)NC2=O)s1
Show InChI InChI=1S/C9H5BrN2O2S2/c10-6-2-1-4(16-6)3-5-7(13)11-9(15)12-8(5)14/h1-3H,(H2,11,12,13,14,15)
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n/an/an/an/a 5.96E+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/Q2SJ1J25
More data for this
Ligand-Target Pair