Found 33 hits for monomerid = 10850 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 5.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes & Digestive & Kidney Diseases
Curated by ChEMBL
| Assay Description Binding affinity at human Adenosine A2B receptor expressed in HEK-293 cells, using [125I]-ABOPX as radioligand |
J Med Chem 45: 2131-8 (2002)
Article DOI: 10.1021/jm0104318 BindingDB Entry DOI: 10.7270/Q2V1243G |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
Mol Pharmacol 29: 331-46 (1986)
BindingDB Entry DOI: 10.7270/Q2MK6BDV |
More data for this Ligand-Target Pair | |
Adenosine A1 receptor
(BOVINE) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)
Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
Mol Pharmacol 29: 331-46 (1986)
BindingDB Entry DOI: 10.7270/Q2MK6BDV |
More data for this Ligand-Target Pair | |
Endochitinase B1
(Aspergillus fumigatus) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 3.70E+4 | -6.28 | 1.26E+5 | n/a | n/a | n/a | n/a | 5.5 | 37 |
University of Dundee
| Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Phosphodiesterase 4
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
Reactome pathway
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| PDB Article PubMed
| 3.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokuriku University
Curated by ChEMBL
| Assay Description Inhibition of cyclic AMP-phosphodiesterase ( PDE) in the supernatant of tracheal muscle homogenate |
J Med Chem 36: 1380-6 (1993)
Article DOI: 10.1021/jm00062a010 BindingDB Entry DOI: 10.7270/Q23B5Z65 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Adenosine A1 receptor
(GUINEA PIG) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokuriku University
Curated by ChEMBL
| Assay Description Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand |
J Med Chem 36: 1380-6 (1993)
Article DOI: 10.1021/jm00062a010 BindingDB Entry DOI: 10.7270/Q23B5Z65 |
More data for this Ligand-Target Pair | |
Chitinase Mutant (R301K)
(Aspergillus fumigatus) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
| Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Chitinase Mutant (T138A)
(Aspergillus fumigatus) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
| Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Chitinase Mutant (Y245F)
(Aspergillus fumigatus) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | 6.40E+4 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
| Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Phosphodiesterase (TcrPDEC)
(Trypanosoma cruzi) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 24 |
University of North Carolina
| Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate. |
J Biol Chem 287: 11788-97 (2012)
Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description TNF-alpha production in PBMC by ELISA method |
J Med Chem 39: 2-9 (1996)
Article DOI: 10.1021/jm940845j BindingDB Entry DOI: 10.7270/Q29S1Q46 |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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| Article PubMed
| n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... |
Toxicol Sci 118: 485-500 (2010)
Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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Patents
Similars
| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 4
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Canalicular multispecific organic anion transporter 1
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | Reactome pathway
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Canalicular multispecific organic anion transporter 2
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB
Reactome pathway
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| Article PubMed
| n/a | n/a | >9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description Inhibition of human GST-tagged PDE4B expressed in baculovirus infected Sf9 insect cells using cAMP as substrate after 10 mins by PDE-Glo Phosphodiest... |
Eur J Med Chem 146: 381-394 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.068 BindingDB Entry DOI: 10.7270/Q2XD1496 |
More data for this Ligand-Target Pair | |
Cholinesterases; ACHE & BCHE
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's m... |
Bioorg Med Chem Lett 23: 4336-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.092 BindingDB Entry DOI: 10.7270/Q2JD50Q1 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's metho... |
Bioorg Med Chem Lett 23: 4336-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.092 BindingDB Entry DOI: 10.7270/Q2JD50Q1 |
More data for this Ligand-Target Pair | |
3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 1.68E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal His6-tagged PDE4A10 catalytic domain expressed in Escherichia coli BL21(DE3) RIL cells using 3',5'-cAMP as substrate b... |
J Med Chem 59: 7029-65 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01813 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Chitinase Mutant (E177A)
(Aspergillus fumigatus) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
| Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Chitinase Mutant (M243A)
(Aspergillus fumigatus) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
| Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Chitinase Mutant (E322A)
(Aspergillus fumigatus) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
GoogleScholar
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
| Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Chitinase Mutant (D246A)
(Aspergillus fumigatus) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 6.20E+4 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
| Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Chitinase Mutant (D175A)
(Aspergillus fumigatus) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
GoogleScholar
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
| Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Chitinase Mutant (A217G)
(Aspergillus fumigatus) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 7.70E+4 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
| Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Endochitinase B1
(Aspergillus fumigatus) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
| Assay Description Fluorescence measurements were carried out with a Varian Cary Eclipse fluorescence spectrophotometer. Emission spectra were recorded from 330-360 nm ... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Chitinase 1
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.80E+4 | n/a | n/a | n/a | n/a | 5.5 | 30 |
University of Dundee
| Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair | |
3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.68E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal His6-tagged PDE4A10 catalytic domain expressed in Escherichia coli BL21(DE3) RIL cells using 3',5'-cAMP as substrate b... |
J Med Chem 59: 7029-65 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01813 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM10850
 (1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.68E+5 | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Dundee
| Assay Description Phosphodiesterase 4A (PDE4A) was assayed using an Sf9-expressed GST-fusion, and activity was monitored by hydrolysis of [3H]cAMP to [3H]AMP using the... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |