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4 similar compounds to monomer 44965

Compile data set for download or QSAR
Wt: 569.2
BDBM48713
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Wt: 512.4
BDBM55861
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Wt: 490.3
BDBM61554
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Wt: 428.3
BDBM61557
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 48713,55861,61554,61557   
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
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens)
BDBM48713
PNG
(5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-(4-bro...)
Show SMILES CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(Br)cc2)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C21H19Br2N3O4S/c1-3-29-20(28)19-14-8-18(30-11(2)27)15(23)9-16(14)26(17(19)10-31-21(24)25)13-6-4-12(22)5-7-13/h4-9H,3,10H2,1-2H3,(H3,24,25)
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n/an/a 6.40E+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
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM48713
PNG
(5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-(4-bro...)
Show SMILES CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(Br)cc2)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C21H19Br2N3O4S/c1-3-29-20(28)19-14-8-18(30-11(2)27)15(23)9-16(14)26(17(19)10-31-21(24)25)13-6-4-12(22)5-7-13/h4-9H,3,10H2,1-2H3,(H3,24,25)
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n/an/a 3.31E+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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens)
BDBM55861
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)
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n/an/a 2.78E+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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61554
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCOC(=O)c1c(CSC(N)=N)n(-c2ccccc2)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C21H20BrN3O4S/c1-3-28-20(27)19-14-9-18(29-12(2)26)15(22)10-16(14)25(13-7-5-4-6-8-13)17(19)11-30-21(23)24/h4-10H,3,11H2,1-2H3,(H3,23,24)
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n/an/a 3.23E+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/Q2348HSG
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61557
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C16H18BrN3O4S/c1-4-23-15(22)14-9-5-13(24-8(2)21)10(17)6-11(9)20(3)12(14)7-25-16(18)19/h5-6H,4,7H2,1-3H3,(H3,18,19)
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n/an/a 1.22E+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/Q2348HSG
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM55861
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)
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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
Group III secretory phopholipase A2


(Homo sapiens)
BDBM61554
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCOC(=O)c1c(CSC(N)=N)n(-c2ccccc2)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C21H20BrN3O4S/c1-3-28-20(27)19-14-9-18(29-12(2)26)15(22)10-16(14)25(13-7-5-4-6-8-13)17(19)11-30-21(23)24/h4-10H,3,11H2,1-2H3,(H3,23,24)
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n/an/a 1.22E+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 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM55861
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)
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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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM55861
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)
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n/an/a 4.22E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM55861
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)
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n/an/a 8.63E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM55861
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)
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n/an/a 5.22E+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 (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
FXN frataxin


(Aspergillus niger)
BDBM61554
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCOC(=O)c1c(CSC(N)=N)n(-c2ccccc2)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C21H20BrN3O4S/c1-3-28-20(27)19-14-9-18(29-12(2)26)15(22)10-16(14)25(13-7-5-4-6-8-13)17(19)11-30-21(23)24/h4-10H,3,11H2,1-2H3,(H3,23,24)
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n/an/an/an/a>5.97E+4n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM55861
PNG
(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Show SMILES CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
Show InChI InChI=1S/C22H30BrN3O4S/c1-4-5-6-7-8-9-10-29-21(28)20-15-11-19(30-14(2)27)16(23)12-17(15)26(3)18(20)13-31-22(24)25/h11-12H,4-10,13H2,1-3H3,(H3,24,25)
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n/an/a 1.24E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair