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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'peters' and Initial = 'jw'   
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
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131871
PNG
(CHEMBL122097 | Methylsulfanylmethyl-phosphonothioi...)
Show SMILES CSCP(O)(O)=S
Show InChI InChI=1S/C2H7O2PS2/c1-7-2-5(3,4)6/h2H2,1H3,(H2,3,4,6)
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4.00E+4n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131868
PNG
(7-Phosphonomethyl-naphthalene-1-carboxylic acid | ...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=O)cc12
Show InChI InChI=1S/C12H11O5P/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-18(15,16)17/h1-6H,7H2,(H,13,14)(H2,15,16,17)
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1.30E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131866
PNG
(7-Thiophosphonomethyl-naphthalene-1-carboxylic aci...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=S)cc12
Show InChI InChI=1S/C12H11O4PS/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-17(15,16)18/h1-6H,7H2,(H,13,14)(H2,15,16,18)
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1.70E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131861
PNG
(Benzyl-phosphonothioic acid | CHEMBL123163)
Show SMILES OP(O)(=S)Cc1ccccc1
Show InChI InChI=1S/C7H9O2PS/c8-10(9,11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
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2.00E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131866
PNG
(7-Thiophosphonomethyl-naphthalene-1-carboxylic aci...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=S)cc12
Show InChI InChI=1S/C12H11O4PS/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-17(15,16)18/h1-6H,7H2,(H,13,14)(H2,15,16,18)
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2.00E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Rattus norvegicus)
BDBM50131868
PNG
(7-Phosphonomethyl-naphthalene-1-carboxylic acid | ...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=O)cc12
Show InChI InChI=1S/C12H11O5P/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-18(15,16)17/h1-6H,7H2,(H,13,14)(H2,15,16,17)
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3.00E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli Alkaline Phosphatase


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131865
PNG
(6-Thiophosphono-hexanoic acid methyl ester | CHEMB...)
Show SMILES COC(=O)CCCCCP(O)(O)=S
Show InChI InChI=1S/C7H15O4PS/c1-11-7(8)5-3-2-4-6-12(9,10)13/h2-6H2,1H3,(H2,9,10,13)
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3.30E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131868
PNG
(7-Phosphonomethyl-naphthalene-1-carboxylic acid | ...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=O)cc12
Show InChI InChI=1S/C12H11O5P/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-18(15,16)17/h1-6H,7H2,(H,13,14)(H2,15,16,17)
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3.90E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131860
PNG
(6-Phosphono-hexanoic acid | CHEMBL122539)
Show SMILES OC(=O)CCCCCP(O)(O)=O
Show InChI InChI=1S/C6H13O5P/c7-6(8)4-2-1-3-5-12(9,10)11/h1-5H2,(H,7,8)(H2,9,10,11)
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4.30E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131863
PNG
(CHEMBL331460 | Phenylsulfanylmethyl-phosphonothioi...)
Show SMILES OP(O)(=S)CSc1ccccc1
Show InChI InChI=1S/C7H9O2PS2/c8-10(9,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
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4.60E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131863
PNG
(CHEMBL331460 | Phenylsulfanylmethyl-phosphonothioi...)
Show SMILES OP(O)(=S)CSc1ccccc1
Show InChI InChI=1S/C7H9O2PS2/c8-10(9,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
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4.70E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131861
PNG
(Benzyl-phosphonothioic acid | CHEMBL123163)
Show SMILES OP(O)(=S)Cc1ccccc1
Show InChI InChI=1S/C7H9O2PS/c8-10(9,11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
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5.70E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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5.80E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131870
PNG
(Butyl-phosphonothioic acid | CHEMBL331046)
Show SMILES CCCCP(O)(O)=S
Show InChI InChI=1S/C4H11O2PS/c1-2-3-4-7(5,6)8/h2-4H2,1H3,(H2,5,6,8)
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6.00E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Rattus norvegicus)
BDBM50131864
PNG
(CHEMBL125296 | Propyl-phosphonic acid)
Show SMILES CCCP(O)(O)=O
Show InChI InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)
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6.10E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli Alkaline Phosphatase


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131862
PNG
(CHEMBL122938 | methylphosphonic acid)
Show SMILES CP(O)(O)=O
Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
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1.01E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131865
PNG
(6-Thiophosphono-hexanoic acid methyl ester | CHEMB...)
Show SMILES COC(=O)CCCCCP(O)(O)=S
Show InChI InChI=1S/C7H15O4PS/c1-11-7(8)5-3-2-4-6-12(9,10)13/h2-6H2,1H3,(H2,9,10,13)
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1.10E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131871
PNG
(CHEMBL122097 | Methylsulfanylmethyl-phosphonothioi...)
Show SMILES CSCP(O)(O)=S
Show InChI InChI=1S/C2H7O2PS2/c1-7-2-5(3,4)6/h2H2,1H3,(H2,3,4,6)
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1.20E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131866
PNG
(7-Thiophosphonomethyl-naphthalene-1-carboxylic aci...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=S)cc12
Show InChI InChI=1S/C12H11O4PS/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-17(15,16)18/h1-6H,7H2,(H,13,14)(H2,15,16,18)
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1.50E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131867
PNG
(6-Thiophosphono-hexanoic acid | CHEMBL123990)
Show SMILES OC(=O)CCCCCP(O)(O)=S
Show InChI InChI=1S/C6H13O4PS/c7-6(8)4-2-1-3-5-11(9,10)12/h1-5H2,(H,7,8)(H2,9,10,12)
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1.50E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131867
PNG
(6-Thiophosphono-hexanoic acid | CHEMBL123990)
Show SMILES OC(=O)CCCCCP(O)(O)=S
Show InChI InChI=1S/C6H13O4PS/c7-6(8)4-2-1-3-5-11(9,10)12/h1-5H2,(H,7,8)(H2,9,10,12)
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1.50E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131864
PNG
(CHEMBL125296 | Propyl-phosphonic acid)
Show SMILES CCCP(O)(O)=O
Show InChI InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)
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1.55E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131860
PNG
(6-Phosphono-hexanoic acid | CHEMBL122539)
Show SMILES OC(=O)CCCCCP(O)(O)=O
Show InChI InChI=1S/C6H13O5P/c7-6(8)4-2-1-3-5-12(9,10)11/h1-5H2,(H,7,8)(H2,9,10,11)
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7.00E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131869
PNG
(CHEMBL122577 | Methyl-phosphonothioic acid)
Show SMILES CP(O)(O)=S
Show InChI InChI=1S/CH5O2PS/c1-4(2,3)5/h1H3,(H2,2,3,5)
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7.00E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131862
PNG
(CHEMBL122938 | methylphosphonic acid)
Show SMILES CP(O)(O)=O
Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
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1.10E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131863
PNG
(CHEMBL331460 | Phenylsulfanylmethyl-phosphonothioi...)
Show SMILES OP(O)(=S)CSc1ccccc1
Show InChI InChI=1S/C7H9O2PS2/c8-10(9,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
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1.58E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131869
PNG
(CHEMBL122577 | Methyl-phosphonothioic acid)
Show SMILES CP(O)(O)=S
Show InChI InChI=1S/CH5O2PS/c1-4(2,3)5/h1H3,(H2,2,3,5)
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1.70E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM50131869
PNG
(CHEMBL122577 | Methyl-phosphonothioic acid)
Show SMILES CP(O)(O)=S
Show InChI InChI=1S/CH5O2PS/c1-4(2,3)5/h1H3,(H2,2,3,5)
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1.90E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131870
PNG
(Butyl-phosphonothioic acid | CHEMBL331046)
Show SMILES CCCCP(O)(O)=S
Show InChI InChI=1S/C4H11O2PS/c1-2-3-4-7(5,6)8/h2-4H2,1H3,(H2,5,6,8)
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2.00E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131867
PNG
(6-Thiophosphono-hexanoic acid | CHEMBL123990)
Show SMILES OC(=O)CCCCCP(O)(O)=S
Show InChI InChI=1S/C6H13O4PS/c7-6(8)4-2-1-3-5-11(9,10)12/h1-5H2,(H,7,8)(H2,9,10,12)
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2.90E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131862
PNG
(CHEMBL122938 | methylphosphonic acid)
Show SMILES CP(O)(O)=O
Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
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3.00E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131860
PNG
(6-Phosphono-hexanoic acid | CHEMBL122539)
Show SMILES OC(=O)CCCCCP(O)(O)=O
Show InChI InChI=1S/C6H13O5P/c7-6(8)4-2-1-3-5-12(9,10)11/h1-5H2,(H,7,8)(H2,9,10,11)
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4.20E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50486025
PNG
(CHEMBL2203672)
Show SMILES Nc1cc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)cc(c1)C(O)=O
Show InChI InChI=1S/C21H14N2O4/c22-12-8-11(21(26)27)9-13(10-12)23-20(25)17-7-3-6-15-14-4-1-2-5-16(14)19(24)18(15)17/h1-10H,22H2,(H,23,25)(H,26,27)
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n/an/a 990n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50486023
PNG
(CHEMBL2203681)
Show SMILES CN(C)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1
Show InChI InChI=1S/C22H18N2O2/c1-24(2)15-8-5-7-14(13-15)23-22(26)19-12-6-11-17-16-9-3-4-10-18(16)21(25)20(17)19/h3-13H,1-2H3,(H,23,26)
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n/an/a 1.51E+3n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50262712
PNG
(3-[(9-oxo-9Hfluorene-1-carbonyl)-amino]-benzoic ac...)
Show SMILES OC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1
Show InChI InChI=1S/C21H13NO4/c23-19-16-8-2-1-7-14(16)15-9-4-10-17(18(15)19)20(24)22-13-6-3-5-12(11-13)21(25)26/h1-11H,(H,22,24)(H,25,26)
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n/an/a 1.64E+3n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50262712
PNG
(3-[(9-oxo-9Hfluorene-1-carbonyl)-amino]-benzoic ac...)
Show SMILES OC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1
Show InChI InChI=1S/C21H13NO4/c23-19-16-8-2-1-7-14(16)15-9-4-10-17(18(15)19)20(24)22-13-6-3-5-12(11-13)21(25)26/h1-11H,(H,22,24)(H,25,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor-induced cytotoxicity in mouse RAW264.7 cells assessed as LDH release after 4 hrs


Bioorg Med Chem 16: 7225-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.036
BindingDB Entry DOI: 10.7270/Q2R2116M
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50262713
PNG
(4-(3-methoxy-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclo...)
Show SMILES COc1cccc(c1)[C@H]1Nc2ccc(cc2[C@@H]2C=CC[C@H]12)C(O)=O |r,c:19|
Show InChI InChI=1S/C20H19NO3/c1-24-14-5-2-4-12(10-14)19-16-7-3-6-15(16)17-11-13(20(22)23)8-9-18(17)21-19/h2-6,8-11,15-16,19,21H,7H2,1H3,(H,22,23)/t15-,16+,19-/m1/s1
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n/an/a 1.73E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor-induced cAMP secretion in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 16: 7225-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.036
BindingDB Entry DOI: 10.7270/Q2R2116M
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50262713
PNG
(4-(3-methoxy-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclo...)
Show SMILES COc1cccc(c1)[C@H]1Nc2ccc(cc2[C@@H]2C=CC[C@H]12)C(O)=O |r,c:19|
Show InChI InChI=1S/C20H19NO3/c1-24-14-5-2-4-12(10-14)19-16-7-3-6-15(16)17-11-13(20(22)23)8-9-18(17)21-19/h2-6,8-11,15-16,19,21H,7H2,1H3,(H,22,23)/t15-,16+,19-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor-induced cytotoxicity in mouse RAW264.7 cells assessed as LDH release after 4 hrs


Bioorg Med Chem 16: 7225-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.036
BindingDB Entry DOI: 10.7270/Q2R2116M
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50262712
PNG
(3-[(9-oxo-9Hfluorene-1-carbonyl)-amino]-benzoic ac...)
Show SMILES OC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1
Show InChI InChI=1S/C21H13NO4/c23-19-16-8-2-1-7-14(16)15-9-4-10-17(18(15)19)20(24)22-13-6-3-5-12(11-13)21(25)26/h1-11H,(H,22,24)(H,25,26)
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n/an/a 1.83E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor-induced cAMP secretion in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 16: 7225-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.036
BindingDB Entry DOI: 10.7270/Q2R2116M
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50486008
PNG
(CHEMBL2203684)
Show SMILES NC(=N)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1
Show InChI InChI=1S/C21H15N3O2/c22-20(23)12-5-3-6-13(11-12)24-21(26)17-10-4-9-15-14-7-1-2-8-16(14)19(25)18(15)17/h1-11H,(H3,22,23)(H,24,26)
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n/an/a 2.71E+3n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50486009
PNG
(CHEMBL2203682)
Show SMILES Fc1ccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)cc1Cl
Show InChI InChI=1S/C20H11ClFNO2/c21-16-10-11(8-9-17(16)22)23-20(25)15-7-3-6-13-12-4-1-2-5-14(12)19(24)18(13)15/h1-10H,(H,23,25)
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n/an/a 3.80E+3n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50486021
PNG
(CHEMBL2203670)
Show SMILES OC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1O
Show InChI InChI=1S/C21H13NO5/c23-18-15(21(26)27)9-4-10-16(18)22-20(25)14-8-3-7-12-11-5-1-2-6-13(11)19(24)17(12)14/h1-10,23H,(H,22,25)(H,26,27)
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n/an/a 5.64E+3n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50486014
PNG
(CHEMBL2203673)
Show SMILES COc1ccc(cc1NC(=O)c1cccc2-c3ccccc3C(=O)c12)C(O)=O
Show InChI InChI=1S/C22H15NO5/c1-28-18-10-9-12(22(26)27)11-17(18)23-21(25)16-8-4-7-14-13-5-2-3-6-15(13)20(24)19(14)16/h2-11H,1H3,(H,23,25)(H,26,27)
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n/an/a 5.81E+3n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50486016
PNG
(CHEMBL2203669)
Show SMILES Nc1ccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)cc1C(O)=O
Show InChI InChI=1S/C21H14N2O4/c22-17-9-8-11(10-16(17)21(26)27)23-20(25)15-7-3-6-13-12-4-1-2-5-14(12)19(24)18(13)15/h1-10H,22H2,(H,23,25)(H,26,27)
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n/an/a 6.08E+3n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50486015
PNG
(CHEMBL2203671)
Show SMILES OC(=O)c1cc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)ccc1O
Show InChI InChI=1S/C21H13NO5/c23-17-9-8-11(10-16(17)21(26)27)22-20(25)15-7-3-6-13-12-4-1-2-5-14(12)19(24)18(13)15/h1-10,23H,(H,22,25)(H,26,27)
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n/an/a 6.21E+3n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50486020
PNG
(CHEMBL2203680)
Show SMILES FC(F)(F)Oc1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1
Show InChI InChI=1S/C21H12F3NO3/c22-21(23,24)28-13-6-3-5-12(11-13)25-20(27)17-10-4-9-15-14-7-1-2-8-16(14)19(26)18(15)17/h1-11H,(H,25,27)
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n/an/a 6.80E+3n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50486011
PNG
(CHEMBL2203678)
Show SMILES COC(=O)c1ccc(OC)c(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1
Show InChI InChI=1S/C23H17NO5/c1-28-19-11-10-13(23(27)29-2)12-18(19)24-22(26)17-9-5-8-15-14-6-3-4-7-16(14)21(25)20(15)17/h3-12H,1-2H3,(H,24,26)
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n/an/a 7.18E+3n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50262711
PNG
(4-[(anthracen-9-ylmethylene)-amino]-2-hydroxy-benz...)
Show SMILES OC(=O)c1ccc(cc1O)\N=C\c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C22H15NO3/c24-21-12-16(9-10-19(21)22(25)26)23-13-20-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)20/h1-13,24H,(H,25,26)/b23-13+
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor-induced cAMP secretion in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 16: 7225-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.036
BindingDB Entry DOI: 10.7270/Q2R2116M
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50262711
PNG
(4-[(anthracen-9-ylmethylene)-amino]-2-hydroxy-benz...)
Show SMILES OC(=O)c1ccc(cc1O)\N=C\c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C22H15NO3/c24-21-12-16(9-10-19(21)22(25)26)23-13-20-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)20/h1-13,24H,(H,25,26)/b23-13+
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema factor-induced cytotoxicity in mouse RAW264.7 cells assessed as LDH release after 4 hrs


Bioorg Med Chem 16: 7225-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.036
BindingDB Entry DOI: 10.7270/Q2R2116M
More data for this
Ligand-Target Pair
Calmodulin-sensitive adenylate cyclase


(Bacillus anthracis)
BDBM50486012
PNG
(CHEMBL2203675)
Show SMILES OC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1Cl
Show InChI InChI=1S/C21H12ClNO4/c22-18-15(21(26)27)9-4-10-16(18)23-20(25)14-8-3-7-12-11-5-1-2-6-13(11)19(24)17(12)14/h1-10H,(H,23,25)(H,26,27)
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n/an/a 9.21E+3n/an/an/an/an/an/a



UTMB

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA


Bioorg Med Chem 20: 368-76 (2012)


Article DOI: 10.1016/j.bmc.2011.10.091
BindingDB Entry DOI: 10.7270/Q2PK0K15
More data for this
Ligand-Target Pair
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