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4 similar compounds to monomer 89023

Compile data set for download or QSAR
Wt: 427.5
BDBM28870
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Wt: 441.5
BDBM48827
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Wt: 455.5
BDBM50439
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Wt: 483.6
BDBM50560

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 28870,48827,50439,50560   
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
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM28870
PNG
(2-[(5Z)-4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-py...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C19H13N3O3S3/c23-16(24)11-21-18(25)15(28-19(21)26)9-12-10-22(13-5-2-1-3-6-13)20-17(12)14-7-4-8-27-14/h1-10H,11H2,(H,23,24)/b15-9-
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Article
PubMed
n/an/a 3.07E+3n/an/an/an/a7.425



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plate in which each reaction mixture contained MAPKKide, LF (List Biological Labor...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
Botulinum Neurotoxin Type A


(Clostridium botulinum)
BDBM28870
PNG
(2-[(5Z)-4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-py...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C19H13N3O3S3/c23-16(24)11-21-18(25)15(28-19(21)26)9-12-10-22(13-5-2-1-3-6-13)20-17(12)14-7-4-8-27-14/h1-10H,11H2,(H,23,24)/b15-9-
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n/an/a 1.60E+5n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plates in which each reaction mixture contained SNAPtide, BoNT /A (List Biological...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM48827
PNG
(3-[(5Z)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C20H15N3O3S3/c24-17(25)8-9-22-19(26)16(29-20(22)27)11-13-12-23(14-5-2-1-3-6-14)21-18(13)15-7-4-10-28-15/h1-7,10-12H,8-9H2,(H,24,25)/b16-11-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50439
PNG
(4-[(5Z)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C21H17N3O3S3/c25-18(26)9-4-10-23-20(27)17(30-21(23)28)12-14-13-24(15-6-2-1-3-7-15)22-19(14)16-8-5-11-29-16/h1-3,5-8,11-13H,4,9-10H2,(H,25,26)/b17-12-
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n/an/a 1.61E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM48827
PNG
(3-[(5Z)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C20H15N3O3S3/c24-17(25)8-9-22-19(26)16(29-20(22)27)11-13-12-23(14-5-2-1-3-6-14)21-18(13)15-7-4-10-28-15/h1-7,10-12H,8-9H2,(H,24,25)/b16-11-
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n/an/a 3.24E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50560
PNG
(6-[(5E)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4...)
Show SMILES OC(=O)CCCCCN1C(=S)S\C(=C\c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C23H21N3O3S3/c27-20(28)11-5-2-6-12-25-22(29)19(32-23(25)30)14-16-15-26(17-8-3-1-4-9-17)24-21(16)18-10-7-13-31-18/h1,3-4,7-10,13-15H,2,5-6,11-12H2,(H,27,28)/b19-14+
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n/an/a 6.97E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZRN
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens (Human))
BDBM48827
PNG
(3-[(5Z)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C20H15N3O3S3/c24-17(25)8-9-22-19(26)16(29-20(22)27)11-13-12-23(14-5-2-1-3-6-14)21-18(13)15-7-4-10-28-15/h1-7,10-12H,8-9H2,(H,24,25)/b16-11-
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n/an/a 2.10E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM50439
PNG
(4-[(5Z)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C21H17N3O3S3/c25-18(26)9-4-10-23-20(27)17(30-21(23)28)12-14-13-24(15-6-2-1-3-7-15)22-19(14)16-8-5-11-29-16/h1-3,5-8,11-13H,4,9-10H2,(H,25,26)/b17-12-
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM48827
PNG
(3-[(5Z)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C20H15N3O3S3/c24-17(25)8-9-22-19(26)16(29-20(22)27)11-13-12-23(14-5-2-1-3-6-14)21-18(13)15-7-4-10-28-15/h1-7,10-12H,8-9H2,(H,24,25)/b16-11-
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n/an/a 3.05E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens (Human))
BDBM48827
PNG
(3-[(5Z)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C20H15N3O3S3/c24-17(25)8-9-22-19(26)16(29-20(22)27)11-13-12-23(14-5-2-1-3-6-14)21-18(13)15-7-4-10-28-15/h1-7,10-12H,8-9H2,(H,24,25)/b16-11-
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n/an/a 2.00E+5n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2QZ28D7
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50560
PNG
(6-[(5E)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4...)
Show SMILES OC(=O)CCCCCN1C(=S)S\C(=C\c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
Show InChI InChI=1S/C23H21N3O3S3/c27-20(28)11-5-2-6-12-25-22(29)19(32-23(25)30)14-16-15-26(17-8-3-1-4-9-17)24-21(16)18-10-7-13-31-18/h1,3-4,7-10,13-15H,2,5-6,11-12H2,(H,27,28)/b19-14+
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n/an/a 2.31E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair