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Compile Data Set for Download or QSAR

Found 918 hits with Last Name = 'ding' and Initial = 'cz'   
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
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)
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)
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
Monoamine oxidase


(Bos taurus)
BDBM50280981
PNG
(2-(3-Chloro-benzyloxy)-ethylamine | CHEMBL65135)
Show SMILES NCCOCc1cccc(Cl)c1
Show InChI InChI=1S/C9H12ClNO/c10-9-3-1-2-8(6-9)7-12-5-4-11/h1-3,6H,4-5,7,11H2
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for enzyme affinity with purified bovine liver MAO B


Bioorg Med Chem Lett 3: 2077-2078 (1993)


Article DOI: 10.1016/S0960-894X(01)81019-2
BindingDB Entry DOI: 10.7270/Q2PC329M
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
Monoamine oxidase


(Bos taurus)
BDBM50042588
PNG
(5-Aminomethyl-3-[4-(3-chloro-benzyloxy)-phenyl]-ox...)
Show SMILES NCC1CN(C(=O)O1)c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C17H17ClN2O3/c18-13-3-1-2-12(8-13)11-22-15-6-4-14(5-7-15)20-10-16(9-19)23-17(20)21/h1-8,16H,9-11,19H2
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6.70E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation


J Med Chem 36: 3606-10 (1994)


BindingDB Entry DOI: 10.7270/Q20R9Q09
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50042592
PNG
(3-[4-(3-Chloro-benzyloxy)-phenyl]-5-methylaminomet...)
Show SMILES CNCC1CN(C(=O)O1)c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C18H19ClN2O3/c1-20-10-17-11-21(18(22)24-17)15-5-7-16(8-6-15)23-12-13-3-2-4-14(19)9-13/h2-9,17,20H,10-12H2,1H3
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2.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation


J Med Chem 36: 3606-10 (1994)


BindingDB Entry DOI: 10.7270/Q20R9Q09
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50280981
PNG
(2-(3-Chloro-benzyloxy)-ethylamine | CHEMBL65135)
Show SMILES NCCOCc1cccc(Cl)c1
Show InChI InChI=1S/C9H12ClNO/c10-9-3-1-2-8(6-9)7-12-5-4-11/h1-3,6H,4-5,7,11H2
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3.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for enzyme affinity with purified bovine liver MAO A


Bioorg Med Chem Lett 3: 2077-2078 (1993)


Article DOI: 10.1016/S0960-894X(01)81019-2
BindingDB Entry DOI: 10.7270/Q2PC329M
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50036731
PNG
(3-Dimethylamino-1-phenyl-propan-1-one | CHEMBL5011...)
Show SMILES CN(C)CCC(=O)c1ccccc1
Show InChI InChI=1S/C11H15NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
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3.50E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase-B from Bovine liver


J Med Chem 36: 1711-5 (1993)


BindingDB Entry DOI: 10.7270/Q2DN443D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50047897
PNG
(CHEMBL289199 | Dimethyl-(3-phenyl-propyl)-amine)
Show SMILES CN(C)CCCc1ccccc1
Show InChI InChI=1S/C11H17N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
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3.80E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase-B from Bovine liver


J Med Chem 36: 1711-5 (1993)


BindingDB Entry DOI: 10.7270/Q2DN443D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50042589
PNG
(3-[4-(3-Chloro-benzyloxy)-phenyl]-5-dimethylaminom...)
Show SMILES CN(C)CC1CN(C(=O)O1)c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C19H21ClN2O3/c1-21(2)11-18-12-22(19(23)25-18)16-6-8-17(9-7-16)24-13-14-4-3-5-15(20)10-14/h3-10,18H,11-13H2,1-2H3
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5.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation


J Med Chem 36: 3606-10 (1994)


BindingDB Entry DOI: 10.7270/Q20R9Q09
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50047898
PNG
(CHEMBL47794 | Dimethyl-pentyl-amine)
Show SMILES CCCCCN(C)C
Show InChI InChI=1S/C7H17N/c1-4-5-6-7-8(2)3/h4-7H2,1-3H3
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2.10E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase-B from Bovine liver


J Med Chem 36: 1711-5 (1993)


BindingDB Entry DOI: 10.7270/Q2DN443D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50047896
PNG
(CHEMBL46232 | Phenethyl-propyl-amine)
Show SMILES CCCNCCc1ccccc1
Show InChI InChI=1S/C11H17N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
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4.00E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase-B from Bovine liver


J Med Chem 36: 1711-5 (1993)


BindingDB Entry DOI: 10.7270/Q2DN443D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50368739
PNG
(CHEMBL1203212)
Show SMILES CNCC1CN(C(=O)O1)c1ccc(OC)cc1
Show InChI InChI=1S/C12H16N2O3/c1-13-7-11-8-14(12(15)17-11)9-3-5-10(16-2)6-4-9/h3-6,11,13H,7-8H2,1-2H3
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4.70E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation


J Med Chem 36: 3606-10 (1994)


BindingDB Entry DOI: 10.7270/Q20R9Q09
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50042587
PNG
(5-Aminomethyl-3-(4-methoxy-phenyl)-dihydro-furan-2...)
Show SMILES COc1ccc(cc1)C1CC(CN)OC1=O
Show InChI InChI=1S/C12H15NO3/c1-15-9-4-2-8(3-5-9)11-6-10(7-13)16-12(11)14/h2-5,10-11H,6-7,13H2,1H3
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6.70E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation


J Med Chem 36: 3606-10 (1994)


BindingDB Entry DOI: 10.7270/Q20R9Q09
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50042586
PNG
(4-Aminomethyl-1-(4-methoxy-phenyl)-pyrrolidin-2-on...)
Show SMILES COc1ccc(cc1)N1CC(CN)CC1=O
Show InChI InChI=1S/C12H16N2O2/c1-16-11-4-2-10(3-5-11)14-8-9(7-13)6-12(14)15/h2-5,9H,6-8,13H2,1H3
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6.70E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation


J Med Chem 36: 3606-10 (1994)


BindingDB Entry DOI: 10.7270/Q20R9Q09
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50018453
PNG
(CHEMBL46278 | Dimethyl-phenethyl-amine | N,N-dimet...)
Show SMILES CN(C)CCc1ccccc1
Show InChI InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
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7.10E+6n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase-B from Bovine liver


J Med Chem 36: 1711-5 (1993)


BindingDB Entry DOI: 10.7270/Q2DN443D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50016907
PNG
(CHEMBL46841 | Dimethyl-(4-phenyl-butyl)-amine)
Show SMILES CN(C)CCCCc1ccccc1
Show InChI InChI=1S/C12H19N/c1-13(2)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
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1.00E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase-B from Bovine liver


J Med Chem 36: 1711-5 (1993)


BindingDB Entry DOI: 10.7270/Q2DN443D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50368566
PNG
(CHEMBL1203213)
Show SMILES COc1ccc(cc1)N1CC(CN)OC1=O
Show InChI InChI=1S/C11H14N2O3/c1-15-9-4-2-8(3-5-9)13-7-10(6-12)16-11(13)14/h2-5,10H,6-7,12H2,1H3
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1.25E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation


J Med Chem 36: 3606-10 (1994)


BindingDB Entry DOI: 10.7270/Q20R9Q09
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50368737
PNG
(CHEMBL1203215)
Show SMILES COc1ccc(cc1)N1CC(CN(C)C)OC1=O
Show InChI InChI=1S/C13H18N2O3/c1-14(2)8-12-9-15(13(16)18-12)10-4-6-11(17-3)7-5-10/h4-7,12H,8-9H2,1-3H3
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1.33E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation


J Med Chem 36: 3606-10 (1994)


BindingDB Entry DOI: 10.7270/Q20R9Q09
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50368741
PNG
(CHEMBL1203214)
Show SMILES CNCC1CN(C(=O)C1)c1ccc(OC)cc1
Show InChI InChI=1S/C13H18N2O2/c1-14-8-10-7-13(16)15(9-10)11-3-5-12(17-2)6-4-11/h3-6,10,14H,7-9H2,1-2H3
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5.00E+7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation


J Med Chem 36: 3606-10 (1994)


BindingDB Entry DOI: 10.7270/Q20R9Q09
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50368738
PNG
(CHEMBL1203211)
Show SMILES COc1ccc(cc1)[C@H]1C[C@@H](CN(C)C)OC1=O |r|
Show InChI InChI=1S/C14H19NO3/c1-15(2)9-12-8-13(14(16)18-12)10-4-6-11(17-3)7-5-10/h4-7,12-13H,8-9H2,1-3H3/t12-,13+/m0/s1
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2.00E+8n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation


J Med Chem 36: 3606-10 (1994)


BindingDB Entry DOI: 10.7270/Q20R9Q09
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50368740
PNG
(CHEMBL1203210)
Show SMILES COc1ccc(cc1)N1CC(CN(C)C)CC1=O
Show InChI InChI=1S/C14H20N2O2/c1-15(2)9-11-8-14(17)16(10-11)12-4-6-13(18-3)7-5-12/h4-7,11H,8-10H2,1-3H3
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3.00E+8n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation


J Med Chem 36: 3606-10 (1994)


BindingDB Entry DOI: 10.7270/Q20R9Q09
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50085469
PNG
((S)-2-({2-[(S)-2-((R)-2-Amino-3-mercapto-propylami...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C23H36N4O4S2/c1-14(2)20(25-11-17(24)13-32)22(29)27-12-16-7-5-4-6-15(16)10-19(27)21(28)26-18(23(30)31)8-9-33-3/h4-7,14,17-20,25,32H,8-13,24H2,1-3H3,(H,26,28)(H,30,31)/t17-,18+,19+,20+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase


Bioorg Med Chem Lett 10: 273-5 (2000)


BindingDB Entry DOI: 10.7270/Q26W999M
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50048399
PNG
((S)-2-[((S)-2-{(S)-2-[2-(3H-Imidazol-4-yl)-ethylam...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NCCc1cnc[nH]1)C(C)C)C(O)=O
Show InChI InChI=1S/C25H35N5O4S/c1-16(2)22(27-10-8-19-13-26-15-28-19)24(32)30-14-18-7-5-4-6-17(18)12-21(30)23(31)29-20(25(33)34)9-11-35-3/h4-7,13,15-16,20-22,27H,8-12,14H2,1-3H3,(H,26,28)(H,29,31)(H,33,34)/t20-,21-,22-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase


Bioorg Med Chem Lett 10: 273-5 (2000)


BindingDB Entry DOI: 10.7270/Q26W999M
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092365
PNG
((R)-1-((1H-imidazol-5-yl)methyl)-3-benzyl-4-(thiop...)
Show SMILES O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1cccs1
Show InChI InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1
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n/an/a 1.35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50122730
PNG
(CHEMBL3623135)
Show SMILES Nc1ncc(C(=O)NC2CC2)c2ccc(nc12)-c1cccc(F)c1
Show InChI InChI=1S/C18H15FN4O/c19-11-3-1-2-10(8-11)15-7-6-13-14(18(24)22-12-4-5-12)9-21-17(20)16(13)23-15/h1-3,6-9,12H,4-5H2,(H2,20,21)(H,22,24)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)


BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50092366
PNG
(3-Benzyl-4-(2-dimethylamino-ethanesulfonyl)-1-(3H-...)
Show SMILES CN(C)CCS(=O)(=O)N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N
Show InChI InChI=1S/C25H30N6O2S/c1-29(2)10-11-34(32,33)31-16-22-12-21(14-26)8-9-25(22)30(17-23-15-27-19-28-23)18-24(31)13-20-6-4-3-5-7-20/h3-9,12,15,19,24H,10-11,13,16-18H2,1-2H3,(H,27,28)/t24-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human farnesyltransferase (FT)


J Med Chem 43: 3587-95 (2000)


BindingDB Entry DOI: 10.7270/Q2WD3ZSV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50122742
PNG
(CHEMBL3623139)
Show SMILES CNC(=O)N1CC(C1)NC(=O)c1cnc(N)c2nc(ccc12)-c1cccc(F)c1
Show InChI InChI=1S/C20H19FN6O2/c1-23-20(29)27-9-13(10-27)25-19(28)15-8-24-18(22)17-14(15)5-6-16(26-17)11-3-2-4-12(21)7-11/h2-8,13H,9-10H2,1H3,(H2,22,24)(H,23,29)(H,25,28)
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n/an/a 1.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)


BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
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