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Compile Data Set for Download or QSAR

Found 111 hits from Anacor Pharmaceuticals, Inc.   
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
Beta-lactamase


(Enterobacter cloacae)
BDBM50339869
PNG
(5-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl...)
Show SMILES OB1OCc2ccc(Oc3cnc(cn3)C(O)=O)cc12
Show InChI InChI=1S/C12H9BN2O5/c16-12(17)10-4-15-11(5-14-10)20-8-2-1-7-6-19-13(18)9(7)3-8/h1-5,18H,6H2,(H,16,17)
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20n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339868
PNG
(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl...)
Show SMILES OB1OCc2ccc(Oc3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C14H11BO5/c16-14(17)9-1-4-11(5-2-9)20-12-6-3-10-8-19-15(18)13(10)7-12/h1-7,18H,8H2,(H,16,17)
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20n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339870
PNG
(2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl...)
Show SMILES OB1OCc2ccc(Oc3ncc(cn3)C(O)=O)cc12
Show InChI InChI=1S/C12H9BN2O5/c16-11(17)8-4-14-12(15-5-8)20-9-2-1-7-6-19-13(18)10(7)3-9/h1-5,18H,6H2,(H,16,17)
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80n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339846
PNG
(6-phenoxybenzo[c][1,2]oxaborol-1(3H)-ol | CHEMBL17...)
Show SMILES OB1OCc2ccc(Oc3ccccc3)cc12
Show InChI InChI=1S/C13H11BO3/c15-14-13-8-12(7-6-10(13)9-16-14)17-11-4-2-1-3-5-11/h1-8,15H,9H2
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710n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339856
PNG
(6-(3-methoxyphenoxy)benzo[c][1,2]oxaborol-1(3H)-ol...)
Show SMILES COc1cccc(Oc2ccc3COB(O)c3c2)c1
Show InChI InChI=1S/C14H13BO4/c1-17-11-3-2-4-12(7-11)19-13-6-5-10-9-18-15(16)14(10)8-13/h2-8,16H,9H2,1H3
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1.35E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339862
PNG
(3-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl...)
Show SMILES OB1OCc2ccc(Oc3cccc(c3)C(O)=O)cc12
Show InChI InChI=1S/C14H11BO5/c16-14(17)9-2-1-3-11(6-9)20-12-5-4-10-8-19-15(18)13(10)7-12/h1-7,18H,8H2,(H,16,17)
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1.44E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339860
PNG
(6-(3-(benzyloxy)phenoxy)benzo[c][1,2]oxaborol-1(3H...)
Show SMILES OB1OCc2ccc(Oc3cccc(OCc4ccccc4)c3)cc12
Show InChI InChI=1S/C20H17BO4/c22-21-20-12-19(10-9-16(20)14-24-21)25-18-8-4-7-17(11-18)23-13-15-5-2-1-3-6-15/h1-12,22H,13-14H2
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2.27E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339857
PNG
(6-(3-aminophenoxy)benzo[c][1,2]oxaborol-1(3H)-ol |...)
Show SMILES Nc1cccc(Oc2ccc3COB(O)c3c2)c1
Show InChI InChI=1S/C13H12BNO3/c15-10-2-1-3-11(6-10)18-12-5-4-9-8-17-14(16)13(9)7-12/h1-7,16H,8,15H2
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2.75E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339859
PNG
(6-(3-(aminomethyl)phenoxy)benzo[c][1,2]oxaborol-1(...)
Show SMILES NCc1cccc(Oc2ccc3COB(O)c3c2)c1
Show InChI InChI=1S/C14H14BNO3/c16-8-10-2-1-3-12(6-10)19-13-5-4-11-9-18-15(17)14(11)7-13/h1-7,17H,8-9,16H2
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3.33E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339855
PNG
(6-(phenylamino)benzo[c][1,2]oxaborol-1(3H)-ol | CH...)
Show SMILES OB1OCc2ccc(Nc3ccccc3)cc12
Show InChI InChI=1S/C13H12BNO2/c16-14-13-8-12(7-6-10(13)9-17-14)15-11-4-2-1-3-5-11/h1-8,15-16H,9H2
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4.73E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339867
PNG
(CHEMBL1761273 | ethyl 4-(1-hydroxy-1,3-dihydrobenz...)
Show SMILES CCOC(=O)c1ccc(Oc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C16H15BO5/c1-2-20-16(18)11-3-6-13(7-4-11)22-14-8-5-12-10-21-17(19)15(12)9-14/h3-9,19H,2,10H2,1H3
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5.55E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339863
PNG
(6-(4-methoxyphenoxy)benzo[c][1,2]oxaborol-1(3H)-ol...)
Show SMILES COc1ccc(Oc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C14H13BO4/c1-17-11-4-6-12(7-5-11)19-13-3-2-10-9-18-15(16)14(10)8-13/h2-8,16H,9H2,1H3
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6.00E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339850
PNG
(6-(hydroxy(phenyl)methyl)benzo[c][1,2]oxaborol-1(3...)
Show SMILES OB1OCc2ccc(cc12)C(O)c1ccccc1
Show InChI InChI=1S/C14H13BO3/c16-14(10-4-2-1-3-5-10)11-6-7-12-9-18-15(17)13(12)8-11/h1-8,14,16-17H,9H2
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7.28E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339861
PNG
(6-(3-((dimethylamino)methyl)phenoxy)benzo[c][1,2]o...)
Show SMILES CN(C)Cc1cccc(Oc2ccc3COB(O)c3c2)c1
Show InChI InChI=1S/C16H18BNO3/c1-18(2)10-12-4-3-5-14(8-12)21-15-7-6-13-11-20-17(19)16(13)9-15/h3-9,19H,10-11H2,1-2H3
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7.72E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339858
PNG
(6-(3-(hydroxymethyl)phenoxy)benzo[c][1,2]oxaborol-...)
Show SMILES OCc1cccc(Oc2ccc3COB(O)c3c2)c1
Show InChI InChI=1S/C14H13BO4/c16-8-10-2-1-3-12(6-10)19-13-5-4-11-9-18-15(17)14(11)7-13/h1-7,16-17H,8-9H2
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8.40E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339864
PNG
(6-(4-aminophenoxy)benzo[c][1,2]oxaborol-1(3H)-ol |...)
Show SMILES Nc1ccc(Oc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C13H12BNO3/c15-10-2-5-11(6-3-10)18-12-4-1-9-8-17-14(16)13(9)7-12/h1-7,16H,8,15H2
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8.73E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339847
PNG
(6-(phenylthio)benzo[c][1,2]oxaborol-1(3H)-ol | CHE...)
Show SMILES OB1OCc2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C13H11BO2S/c15-14-13-8-12(7-6-10(13)9-16-14)17-11-4-2-1-3-5-11/h1-8,15H,9H2
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9.09E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339865
PNG
(6-(4-(aminomethyl)phenoxy)benzo[c][1,2]oxaborol-1(...)
Show SMILES NCc1ccc(Oc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C14H14BNO3/c16-8-10-1-4-12(5-2-10)19-13-6-3-11-9-18-15(17)14(11)7-13/h1-7,17H,8-9,16H2
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1.33E+4n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339854
PNG
(6-((phenylaminooxy)carbonyl)benzo[c][1,2]oxaborol-...)
Show SMILES OB1OCc2ccc(cc12)C(=O)ONc1ccccc1
Show InChI InChI=1S/C14H12BNO4/c17-14(20-16-12-4-2-1-3-5-12)10-6-7-11-9-19-15(18)13(11)8-10/h1-8,16,18H,9H2
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1.60E+4n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339848
PNG
(6-benzylbenzo[c][1,2]oxaborol-1(3H)-ol | CHEMBL176...)
Show SMILES OB1OCc2ccc(Cc3ccccc3)cc12
Show InChI InChI=1S/C14H13BO2/c16-15-14-9-12(6-7-13(14)10-17-15)8-11-4-2-1-3-5-11/h1-7,9,16H,8,10H2
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1.98E+4n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339849
PNG
((1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)(...)
Show SMILES OB1OCc2ccc(cc12)C(=O)c1ccccc1
Show InChI InChI=1S/C14H11BO3/c16-14(10-4-2-1-3-5-10)11-6-7-12-9-18-15(17)13(12)8-11/h1-8,17H,9H2
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2.85E+4n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339866
PNG
(6-(4-((dimethylamino)methyl)phenoxy)benzo[c][1,2]o...)
Show SMILES CN(C)Cc1ccc(Oc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C16H18BNO3/c1-18(2)10-12-3-6-14(7-4-12)21-15-8-5-13-11-20-17(19)16(13)9-15/h3-9,19H,10-11H2,1-2H3
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4.06E+4n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339853
PNG
(CHEMBL1761258 | N-(1-hydroxy-1,3-dihydrobenzo[c][1...)
Show SMILES OB1OCc2ccc(NC(=O)c3ccccc3)cc12
Show InChI InChI=1S/C14H12BNO3/c17-14(10-4-2-1-3-5-10)16-12-7-6-11-9-19-15(18)13(11)8-12/h1-8,18H,9H2,(H,16,17)
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4.66E+4n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339851
PNG
(6-(phenylsulfinyl)benzo[c][1,2]oxaborol-1(3H)-ol |...)
Show SMILES OB1OCc2ccc(cc12)S(=O)c1ccccc1
Show InChI InChI=1S/C13H11BO3S/c15-14-13-8-12(7-6-10(13)9-17-14)18(16)11-4-2-1-3-5-11/h1-8,15H,9H2
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5.80E+4n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50339852
PNG
(6-(phenylsulfonyl)benzo[c][1,2]oxaborol-1(3H)-ol |...)
Show SMILES OB1OCc2ccc(cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C13H11BO4S/c15-14-13-8-12(7-6-10(13)9-18-14)19(16,17)11-4-2-1-3-5-11/h1-8,15H,9H2
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6.32E+4n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2533-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.024
BindingDB Entry DOI: 10.7270/Q2G44QK5
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM258601
PNG
(US9493490, 6-(4-(aminomethyl)-2-chlorophenoxy)-7-i...)
Show SMILES CC(C)c1c2B(O)OCc2ccc1Oc1ccc(CN)cc1Cl
Show InChI InChI=1S/C17H19BClNO3/c1-10(2)16-15(6-4-12-9-22-18(21)17(12)16)23-14-5-3-11(8-20)7-13(14)19/h3-7,10,21H,8-9,20H2,1-2H3
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n/an/a 0.0550n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM258601
PNG
(US9493490, 6-(4-(aminomethyl)-2-chlorophenoxy)-7-i...)
Show SMILES CC(C)c1c2B(O)OCc2ccc1Oc1ccc(CN)cc1Cl
Show InChI InChI=1S/C17H19BClNO3/c1-10(2)16-15(6-4-12-9-22-18(21)17(12)16)23-14-5-3-11(8-20)7-13(14)19/h3-7,10,21H,8-9,20H2,1-2H3
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n/an/a 0.195n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120866
PNG
(US8716478, D253 | US9499570, D253)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)c(cc1Cl)C#N
Show InChI InChI=1S/C18H16BClN2O5/c1-11(23)3-2-6-25-18-16(20)8-12(9-21)17(22-18)27-14-4-5-15-13(7-14)10-26-19(15)24/h4-5,7-8,24H,2-3,6,10H2,1H3
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US9499570 (2016)


BindingDB Entry DOI: 10.7270/Q2CZ363N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM120866
PNG
(US8716478, D253 | US9499570, D253)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)c(cc1Cl)C#N
Show InChI InChI=1S/C18H16BClN2O5/c1-11(23)3-2-6-25-18-16(20)8-12(9-21)17(22-18)27-14-4-5-15-13(7-14)10-26-19(15)24/h4-5,7-8,24H,2-3,6,10H2,1H3
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US8716478 (2014)


BindingDB Entry DOI: 10.7270/Q2Z60MQ7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120845
PNG
(US8716478, D231 | US9499570, D231)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)c(Cl)cc1C#N
Show InChI InChI=1S/C18H16BClN2O5/c1-11(23)3-2-6-25-17-12(9-21)8-16(20)18(22-17)27-14-4-5-15-13(7-14)10-26-19(15)24/h4-5,7-8,24H,2-3,6,10H2,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US9499570 (2016)


BindingDB Entry DOI: 10.7270/Q2CZ363N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM120845
PNG
(US8716478, D231 | US9499570, D231)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)c(Cl)cc1C#N
Show InChI InChI=1S/C18H16BClN2O5/c1-11(23)3-2-6-25-17-12(9-21)8-16(20)18(22-17)27-14-4-5-15-13(7-14)10-26-19(15)24/h4-5,7-8,24H,2-3,6,10H2,1H3
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US8716478 (2014)


BindingDB Entry DOI: 10.7270/Q2Z60MQ7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM120855
PNG
(US8716478, D241 | US9499570, D241)
Show SMILES CC(C)OCCOc1nc(Oc2ccc3B(O)OCc3c2)cc(c1C#N)C(F)(F)F
Show InChI InChI=1S/C19H18BF3N2O5/c1-11(2)27-5-6-28-18-14(9-24)15(19(21,22)23)8-17(25-18)30-13-3-4-16-12(7-13)10-29-20(16)26/h3-4,7-8,11,26H,5-6,10H2,1-2H3
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US8716478 (2014)


BindingDB Entry DOI: 10.7270/Q2Z60MQ7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120855
PNG
(US8716478, D241 | US9499570, D241)
Show SMILES CC(C)OCCOc1nc(Oc2ccc3B(O)OCc3c2)cc(c1C#N)C(F)(F)F
Show InChI InChI=1S/C19H18BF3N2O5/c1-11(2)27-5-6-28-18-14(9-24)15(19(21,22)23)8-17(25-18)30-13-3-4-16-12(7-13)10-29-20(16)26/h3-4,7-8,11,26H,5-6,10H2,1-2H3
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US9499570 (2016)


BindingDB Entry DOI: 10.7270/Q2CZ363N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM120860
PNG
(US8716478, D246 | US9499570, D246)
Show SMILES CC(=O)CCCOc1nc(Oc2cc3COB(O)c3c(C)c2)c(Cl)cc1C#N
Show InChI InChI=1S/C19H18BClN2O5/c1-11-6-15(7-14-10-27-20(25)17(11)14)28-19-16(21)8-13(9-22)18(23-19)26-5-3-4-12(2)24/h6-8,25H,3-5,10H2,1-2H3
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US8716478 (2014)


BindingDB Entry DOI: 10.7270/Q2Z60MQ7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM120853
PNG
(US8716478, D239 | US9499570, D239)
Show SMILES OB1OCc2cc(Oc3nc(OCCOC4CC4)c(cc3Cl)C#N)ccc12
Show InChI InChI=1S/C18H16BClN2O5/c20-16-8-11(9-21)17(25-6-5-24-13-1-2-13)22-18(16)27-14-3-4-15-12(7-14)10-26-19(15)23/h3-4,7-8,13,23H,1-2,5-6,10H2
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US8716478 (2014)


BindingDB Entry DOI: 10.7270/Q2Z60MQ7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120853
PNG
(US8716478, D239 | US9499570, D239)
Show SMILES OB1OCc2cc(Oc3nc(OCCOC4CC4)c(cc3Cl)C#N)ccc12
Show InChI InChI=1S/C18H16BClN2O5/c20-16-8-11(9-21)17(25-6-5-24-13-1-2-13)22-18(16)27-14-3-4-15-12(7-14)10-26-19(15)23/h3-4,7-8,13,23H,1-2,5-6,10H2
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US9499570 (2016)


BindingDB Entry DOI: 10.7270/Q2CZ363N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120860
PNG
(US8716478, D246 | US9499570, D246)
Show SMILES CC(=O)CCCOc1nc(Oc2cc3COB(O)c3c(C)c2)c(Cl)cc1C#N
Show InChI InChI=1S/C19H18BClN2O5/c1-11-6-15(7-14-10-27-20(25)17(11)14)28-19-16(21)8-13(9-22)18(23-19)26-5-3-4-12(2)24/h6-8,25H,3-5,10H2,1-2H3
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US9499570 (2016)


BindingDB Entry DOI: 10.7270/Q2CZ363N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120862
PNG
(US8716478, D248 | US9499570, D248)
Show SMILES CC(=O)CCCOc1nc(Oc2cc3COB(O)c3c(F)c2)c(Cl)cc1C#N
Show InChI InChI=1S/C18H15BClFN2O5/c1-10(24)3-2-4-26-17-11(8-22)6-14(20)18(23-17)28-13-5-12-9-27-19(25)16(12)15(21)7-13/h5-7,25H,2-4,9H2,1H3
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US9499570 (2016)


BindingDB Entry DOI: 10.7270/Q2CZ363N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM120862
PNG
(US8716478, D248 | US9499570, D248)
Show SMILES CC(=O)CCCOc1nc(Oc2cc3COB(O)c3c(F)c2)c(Cl)cc1C#N
Show InChI InChI=1S/C18H15BClFN2O5/c1-10(24)3-2-4-26-17-11(8-22)6-14(20)18(23-17)28-13-5-12-9-27-19(25)16(12)15(21)7-13/h5-7,25H,2-4,9H2,1H3
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US8716478 (2014)


BindingDB Entry DOI: 10.7270/Q2Z60MQ7
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM258598
PNG
(US9493490, Example 10 | US9493490, G)
Show SMILES C[C@@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1
Show InChI InChI=1S/C16H17BFNO3/c1-9-14(5-4-12-8-21-17(20)16(9)12)22-15-6-3-11(10(2)19)7-13(15)18/h3-7,10,20H,8,19H2,1-2H3/t10-/m1/s1
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120859
PNG
(US8716478, D245 | US9499570, D245)
Show SMILES CC(C)OCCOc1nc(Oc2cc3COB(O)c3c(C)c2)c(Cl)cc1C#N
Show InChI InChI=1S/C19H20BClN2O5/c1-11(2)25-4-5-26-18-13(9-22)8-16(21)19(23-18)28-15-6-12(3)17-14(7-15)10-27-20(17)24/h6-8,11,24H,4-5,10H2,1-3H3
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Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US9499570 (2016)


BindingDB Entry DOI: 10.7270/Q2CZ363N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM120859
PNG
(US8716478, D245 | US9499570, D245)
Show SMILES CC(C)OCCOc1nc(Oc2cc3COB(O)c3c(C)c2)c(Cl)cc1C#N
Show InChI InChI=1S/C19H20BClN2O5/c1-11(2)25-4-5-26-18-13(9-22)8-16(21)19(23-18)28-15-6-12(3)17-14(7-15)10-27-20(17)24/h6-8,11,24H,4-5,10H2,1-3H3
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n/an/a 2n/an/an/an/a7.537



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US8716478 (2014)


BindingDB Entry DOI: 10.7270/Q2Z60MQ7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM120856
PNG
(US8716478, D242 | US9499570, D242)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)cc(c1C#N)C(F)(F)F
Show InChI InChI=1S/C19H16BF3N2O5/c1-11(26)3-2-6-28-18-14(9-24)15(19(21,22)23)8-17(25-18)30-13-4-5-16-12(7-13)10-29-20(16)27/h4-5,7-8,27H,2-3,6,10H2,1H3
PDB

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n/an/a 2.20n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US9499570 (2016)


BindingDB Entry DOI: 10.7270/Q2CZ363N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM120856
PNG
(US8716478, D242 | US9499570, D242)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)cc(c1C#N)C(F)(F)F
Show InChI InChI=1S/C19H16BF3N2O5/c1-11(26)3-2-6-28-18-14(9-24)15(19(21,22)23)8-17(25-18)30-13-4-5-16-12(7-13)10-29-20(16)27/h4-5,7-8,27H,2-3,6,10H2,1H3
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n/an/a 2.20n/an/an/an/a7.537



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US8716478 (2014)


BindingDB Entry DOI: 10.7270/Q2Z60MQ7
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM255615
PNG
(US9499570, D141)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)ccc1C#N
Show InChI InChI=1S/C18H17BN2O5/c1-12(22)3-2-8-24-18-13(10-20)4-7-17(21-18)26-15-5-6-16-14(9-15)11-25-19(16)23/h4-7,9,23H,2-3,8,11H2,1H3
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n/an/a 3.10n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US9499570 (2016)


BindingDB Entry DOI: 10.7270/Q2CZ363N
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM258600
PNG
(US9493490, 6-(3-(aminomethyl)-2-fluorophenoxy)-7-m...)
Show SMILES Cc1c2B(O)OCc2ccc1Oc1cccc(CN)c1F
Show InChI InChI=1S/C15H15BFNO3/c1-9-12(6-5-11-8-20-16(19)14(9)11)21-13-4-2-3-10(7-18)15(13)17/h2-6,19H,7-8,18H2,1H3
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n/an/a 3.38n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM258598
PNG
(US9493490, Example 10 | US9493490, G)
Show SMILES C[C@@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1
Show InChI InChI=1S/C16H17BFNO3/c1-9-14(5-4-12-8-21-17(20)16(9)12)22-15-6-3-11(10(2)19)7-13(15)18/h3-7,10,20H,8,19H2,1-2H3/t10-/m1/s1
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n/an/a 3.62n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM258595
PNG
(US9493490, 6-(4-(aminomethyl)-2-fluorophenoxy)-7-m...)
Show SMILES Cc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1F
Show InChI InChI=1S/C15H15BFNO3/c1-9-13(5-3-11-8-20-16(19)15(9)11)21-14-4-2-10(7-18)6-12(14)17/h2-6,19H,7-8,18H2,1H3
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n/an/a 4.06n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM258601
PNG
(US9493490, 6-(4-(aminomethyl)-2-chlorophenoxy)-7-i...)
Show SMILES CC(C)c1c2B(O)OCc2ccc1Oc1ccc(CN)cc1Cl
Show InChI InChI=1S/C17H19BClNO3/c1-10(2)16-15(6-4-12-9-22-18(21)17(12)16)23-14-5-3-11(8-20)7-13(14)19/h3-7,10,21H,8-9,20H2,1-2H3
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n/an/a 4.22n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM258595
PNG
(US9493490, 6-(4-(aminomethyl)-2-fluorophenoxy)-7-m...)
Show SMILES Cc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1F
Show InChI InChI=1S/C15H15BFNO3/c1-9-13(5-3-11-8-20-16(19)15(9)11)21-14-4-2-10(7-18)6-12(14)17/h2-6,19H,7-8,18H2,1H3
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n/an/a 5.01n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...


US Patent US9493490 (2016)


BindingDB Entry DOI: 10.7270/Q2R2109J
More data for this
Ligand-Target Pair
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