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6 similar compounds to monomer 88691

Compile data set for download or QSAR
Wt: 392.8
BDBM3699
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Wt: 386.4
BDBM58871
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Wt: 386.4
BDBM58826
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Wt: 319.2
BDBM76677
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Wt: 394.3
BDBM87566
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Wt: 376.3
BDBM87567
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 3699,58871,58826,76677,87566,87567   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58826
PNG
(MLS001234268 | SMR000811659 | [4-(4,7-dimethyl-1,3...)
Show SMILES Cc1ccc(C)c2sc(nc12)N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C18H18N4O4S/c1-11-3-4-12(2)16-15(11)19-18(27-16)21-9-7-20(8-10-21)17(23)13-5-6-14(26-13)22(24)25/h3-6H,7-10H2,1-2H3
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n/an/an/an/a 2.59E+3n/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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58871
PNG
(MLS001234237 | SMR000811646 | [4-(4-ethyl-1,3-benz...)
Show SMILES CCc1cccc2sc(nc12)N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C18H18N4O4S/c1-2-12-4-3-5-14-16(12)19-18(27-14)21-10-8-20(9-11-21)17(23)13-6-7-15(26-13)22(24)25/h3-7H,2,8-11H2,1H3
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n/an/an/an/a 2.38E+3n/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
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76677
PNG
(5-Nitro-furan-2-carboxylic acid (6-methoxy-benzoth...)
Show SMILES COc1ccc2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
Show InChI InChI=1S/C13H9N3O5S/c1-20-7-2-3-8-10(6-7)22-13(14-8)15-12(17)9-4-5-11(21-9)16(18)19/h2-6H,1H3,(H,14,15,17)
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n/an/a 1.38E+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/Q27H1H10
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM76677
PNG
(5-Nitro-furan-2-carboxylic acid (6-methoxy-benzoth...)
Show SMILES COc1ccc2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
Show InChI InChI=1S/C13H9N3O5S/c1-20-7-2-3-8-10(6-7)22-13(14-8)15-12(17)9-4-5-11(21-9)16(18)19/h2-6H,1H3,(H,14,15,17)
PDB
MMDB

NCI pathway
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antibodypedia
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n/an/a 2.82E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76677
PNG
(5-Nitro-furan-2-carboxylic acid (6-methoxy-benzoth...)
Show SMILES COc1ccc2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
Show InChI InChI=1S/C13H9N3O5S/c1-20-7-2-3-8-10(6-7)22-13(14-8)15-12(17)9-4-5-11(21-9)16(18)19/h2-6H,1H3,(H,14,15,17)
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n/an/a 2.29E+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/Q2MS3R7H
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM3699
PNG
(cid_7292627)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C16H13ClN4O4S/c17-10-2-1-3-12-14(10)18-16(26-12)20-8-6-19(7-9-20)15(22)11-4-5-13(25-11)21(23)24/h1-5H,6-9H2
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n/an/an/an/a 860n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2B27SW7
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM87567
PNG
(MLS001234266 | SMR000811639 | [4-(6-fluoranyl-1,3-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C16H13FN4O4S/c17-10-1-2-11-13(9-10)26-16(18-11)20-7-5-19(6-8-20)15(22)12-3-4-14(25-12)21(23)24/h1-4,9H,5-8H2
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n/an/an/an/a 3.64E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2MK6BGR
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM87566
PNG
(MLS001234228 | SMR000811655 | [4-(4,6-difluoro-1,3...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C16H12F2N4O4S/c17-9-7-10(18)14-12(8-9)27-16(19-14)21-5-3-20(4-6-21)15(23)11-1-2-13(26-11)22(24)25/h1-2,7-8H,3-6H2
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n/an/an/an/a 1.93E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q23N220P
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM3699
PNG
(cid_7292627)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C16H13ClN4O4S/c17-10-2-1-3-12-14(10)18-16(26-12)20-8-6-19(7-9-20)15(22)11-4-5-13(25-11)21(23)24/h1-5H,6-9H2
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n/an/an/an/a 3.53E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q23N220P
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM87567
PNG
(MLS001234266 | SMR000811639 | [4-(6-fluoranyl-1,3-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C16H13FN4O4S/c17-10-1-2-11-13(9-10)26-16(18-11)20-7-5-19(6-8-20)15(22)12-3-4-14(25-12)21(23)24/h1-4,9H,5-8H2
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n/an/an/an/a 384n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2B27SW7
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM87566
PNG
(MLS001234228 | SMR000811655 | [4-(4,6-difluoro-1,3...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C16H12F2N4O4S/c17-9-7-10(18)14-12(8-9)27-16(19-14)21-5-3-20(4-6-21)15(23)11-1-2-13(26-11)22(24)25/h1-2,7-8H,3-6H2
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n/an/an/an/a 390n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2B27SW7
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM87566
PNG
(MLS001234228 | SMR000811655 | [4-(4,6-difluoro-1,3...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C16H12F2N4O4S/c17-9-7-10(18)14-12(8-9)27-16(19-14)21-5-3-20(4-6-21)15(23)11-1-2-13(26-11)22(24)25/h1-2,7-8H,3-6H2
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n/an/an/an/a 8.90E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2MK6BGR
More data for this
Ligand-Target Pair