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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Protective antigen'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protective antigen


(Bacillus anthracis)
BDBM50398482
PNG
(CHEMBL2179142)
Show SMILES NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1ccccc1C(N)=O
Show InChI InChI=1S/C22H18N4O4/c23-19(27)15-5-1-3-7-17(15)25-21(29)13-9-11-14(12-10-13)22(30)26-18-8-4-2-6-16(18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)
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n/an/an/an/a 1.00E+3n/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease activated Bacillus anthracis Protective antigen-mediated cytotoxicity in HT1080 cells compound co-treated for 5 ...


J Med Chem 55: 7998-8006 (2012)


Article DOI: 10.1021/jm300804e
BindingDB Entry DOI: 10.7270/Q2ZP4786
More data for this
Ligand-Target Pair
Protective antigen


(Bacillus anthracis)
BDBM50398483
PNG
(CHEMBL2179141)
Show SMILES Oc1ccccc1\C=N\c1ccc(Cc2ccc(\N=C\c3ccccc3O)c(O)c2)cc1O
Show InChI InChI=1S/C27H22N2O4/c30-24-7-3-1-5-20(24)16-28-22-11-9-18(14-26(22)32)13-19-10-12-23(27(33)15-19)29-17-21-6-2-4-8-25(21)31/h1-12,14-17,30-33H,13H2/b28-16+,29-17+
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n/an/an/an/a 1.00E+3n/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease activated Bacillus anthracis Protective antigen-mediated cytotoxicity in HT1080 cells compound co-treated for 5 ...


J Med Chem 55: 7998-8006 (2012)


Article DOI: 10.1021/jm300804e
BindingDB Entry DOI: 10.7270/Q2ZP4786
More data for this
Ligand-Target Pair
Protective antigen


(Bacillus anthracis)
BDBM50398482
PNG
(CHEMBL2179142)
Show SMILES NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1ccccc1C(N)=O
Show InChI InChI=1S/C22H18N4O4/c23-19(27)15-5-1-3-7-17(15)25-21(29)13-9-11-14(12-10-13)22(30)26-18-8-4-2-6-16(18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)
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n/an/an/an/a 1.00E+3n/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in HT1080 cells compound co-treated for 5 hrs with antigen measured after 4...


J Med Chem 55: 7998-8006 (2012)


Article DOI: 10.1021/jm300804e
BindingDB Entry DOI: 10.7270/Q2ZP4786
More data for this
Ligand-Target Pair
Protective antigen


(Bacillus anthracis)
BDBM50398483
PNG
(CHEMBL2179141)
Show SMILES Oc1ccccc1\C=N\c1ccc(Cc2ccc(\N=C\c3ccccc3O)c(O)c2)cc1O
Show InChI InChI=1S/C27H22N2O4/c30-24-7-3-1-5-20(24)16-28-22-11-9-18(14-26(22)32)13-19-10-12-23(27(33)15-19)29-17-21-6-2-4-8-25(21)31/h1-12,14-17,30-33H,13H2/b28-16+,29-17+
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n/an/an/an/a 1.00E+3n/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in HT1080 cells compound co-treated for 5 hrs with antigen measured after 4...


J Med Chem 55: 7998-8006 (2012)


Article DOI: 10.1021/jm300804e
BindingDB Entry DOI: 10.7270/Q2ZP4786
More data for this
Ligand-Target Pair
Protective antigen


(Bacillus anthracis)
BDBM50398483
PNG
(CHEMBL2179141)
Show SMILES Oc1ccccc1\C=N\c1ccc(Cc2ccc(\N=C\c3ccccc3O)c(O)c2)cc1O
Show InChI InChI=1S/C27H22N2O4/c30-24-7-3-1-5-20(24)16-28-22-11-9-18(14-26(22)32)13-19-10-12-23(27(33)15-19)29-17-21-6-2-4-8-25(21)31/h1-12,14-17,30-33H,13H2/b28-16+,29-17+
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n/an/an/an/a 1.00E+3n/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in RAW264.7 cells compound co-treated for 5 hrs with antigen measured after...


J Med Chem 55: 7998-8006 (2012)


Article DOI: 10.1021/jm300804e
BindingDB Entry DOI: 10.7270/Q2ZP4786
More data for this
Ligand-Target Pair
Protective antigen


(Bacillus anthracis)
BDBM50398482
PNG
(CHEMBL2179142)
Show SMILES NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1ccccc1C(N)=O
Show InChI InChI=1S/C22H18N4O4/c23-19(27)15-5-1-3-7-17(15)25-21(29)13-9-11-14(12-10-13)22(30)26-18-8-4-2-6-16(18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)
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n/an/an/an/a 1.00E+3n/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in RAW264.7 cells compound co-treated for 5 hrs with antigen measured after...


J Med Chem 55: 7998-8006 (2012)


Article DOI: 10.1021/jm300804e
BindingDB Entry DOI: 10.7270/Q2ZP4786
More data for this
Ligand-Target Pair
Protective antigen


(Bacillus anthracis)
BDBM50398482
PNG
(CHEMBL2179142)
Show SMILES NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1ccccc1C(N)=O
Show InChI InChI=1S/C22H18N4O4/c23-19(27)15-5-1-3-7-17(15)25-21(29)13-9-11-14(12-10-13)22(30)26-18-8-4-2-6-16(18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)
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n/an/an/an/a 3.00E+3n/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in RAW264.7 cells compound co-treated for 5 hrs with antigen by MTT assay i...


J Med Chem 55: 7998-8006 (2012)


Article DOI: 10.1021/jm300804e
BindingDB Entry DOI: 10.7270/Q2ZP4786
More data for this
Ligand-Target Pair
Protective antigen


(Bacillus anthracis)
BDBM50398483
PNG
(CHEMBL2179141)
Show SMILES Oc1ccccc1\C=N\c1ccc(Cc2ccc(\N=C\c3ccccc3O)c(O)c2)cc1O
Show InChI InChI=1S/C27H22N2O4/c30-24-7-3-1-5-20(24)16-28-22-11-9-18(14-26(22)32)13-19-10-12-23(27(33)15-19)29-17-21-6-2-4-8-25(21)31/h1-12,14-17,30-33H,13H2/b28-16+,29-17+
PDB
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n/an/an/an/a 3.00E+3n/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in RAW264.7 cells compound co-treated for 5 hrs with antigen by MTT assay i...


J Med Chem 55: 7998-8006 (2012)


Article DOI: 10.1021/jm300804e
BindingDB Entry DOI: 10.7270/Q2ZP4786
More data for this
Ligand-Target Pair