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PubMed code 19748785

Compile data set for download or QSAR
Found 115 hits of Enzyme Inhibition Constant Data   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 200n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33395
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1b | Z-isomer)
Show SMILES COc1ccccc1\C(C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7-
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n/an/a 1.90E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33402
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 8)
Show SMILES CCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H22N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H4,19,20,21,22)
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n/an/a 2.20E+3n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 2.40E+3n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33403
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 9)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33404
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 10)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H20N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,9-10,13H,6-8H2,1H3,(H4,19,20,21,22)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33395
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1b | Z-isomer)
Show SMILES COc1ccccc1\C(C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7-
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n/an/a 3.90E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33395
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1b | Z-isomer)
Show SMILES COc1ccccc1\C(C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7-
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n/an/a 3.94E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33394
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1a | E-isomer)
Show SMILES COc1ccccc1\C(C)=C\c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33397
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 3 | E/Z ratio=3:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,(H4,19,20,21,22)/b13-8-
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n/an/a 4.14E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33401
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 7 | E/Z ratio=3:...)
Show SMILES CCC(C)C(=C\c1coc2nc(N)nc(N)c12)\c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9-
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n/an/a 4.20E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33404
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 10)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H20N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,9-10,13H,6-8H2,1H3,(H4,19,20,21,22)
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n/an/a 4.44E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33398
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 4 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,8-10H,6-7H2,1H3,(H4,19,20,21,22)/b13-8-
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n/an/a 4.60E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33398
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 4 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,8-10H,6-7H2,1H3,(H4,19,20,21,22)/b13-8-
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n/an/a 4.64E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33403
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 9)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33404
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 10)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H20N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,9-10,13H,6-8H2,1H3,(H4,19,20,21,22)
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n/an/a 5.01E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33403
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 9)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 5.09E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33401
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 7 | E/Z ratio=3:...)
Show SMILES CCC(C)C(=C\c1coc2nc(N)nc(N)c12)\c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9-
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n/an/a 5.70E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33408
PNG
(AG1295 | CHEMBL7724 | cid_2048)
Show SMILES Cc1cc2ncc(nc2cc1C)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33397
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 3 | E/Z ratio=3:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,(H4,19,20,21,22)/b13-8-
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n/an/a 6.35E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33403
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 9)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33397
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 3 | E/Z ratio=3:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,(H4,19,20,21,22)/b13-8-
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n/an/a 7.50E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33396
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 2 | E/Z ratio=2:...)
Show SMILES CCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H20N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-10H,3,6H2,1-2H3,(H4,19,20,21,22)/b11-9-
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n/an/a 7.92E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33401
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 7 | E/Z ratio=3:...)
Show SMILES CCC(C)C(=C\c1coc2nc(N)nc(N)c12)\c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9-
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n/an/a 8.64E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33401
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 7 | E/Z ratio=3:...)
Show SMILES CCC(C)C(=C\c1coc2nc(N)nc(N)c12)\c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9-
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n/an/a 9.64E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33404
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 10)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H20N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,9-10,13H,6-8H2,1H3,(H4,19,20,21,22)
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n/an/a 1.01E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33395
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1b | Z-isomer)
Show SMILES COc1ccccc1\C(C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7-
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n/an/a 1.02E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33398
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 4 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,8-10H,6-7H2,1H3,(H4,19,20,21,22)/b13-8-
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n/an/a 1.02E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33394
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1a | E-isomer)
Show SMILES COc1ccccc1\C(C)=C\c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+
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n/an/a 1.03E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33398
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 4 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,8-10H,6-7H2,1H3,(H4,19,20,21,22)/b13-8-
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n/an/a 1.03E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33396
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 2 | E/Z ratio=2:...)
Show SMILES CCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H20N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-10H,3,6H2,1-2H3,(H4,19,20,21,22)/b11-9-
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n/an/a 1.18E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33397
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 3 | E/Z ratio=3:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,(H4,19,20,21,22)/b13-8-
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n/an/a 1.19E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33396
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 2 | E/Z ratio=2:...)
Show SMILES CCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H20N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-10H,3,6H2,1-2H3,(H4,19,20,21,22)/b11-9-
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n/an/a 1.22E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33404
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 10)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H20N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,9-10,13H,6-8H2,1H3,(H4,19,20,21,22)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33403
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 9)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33394
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1a | E-isomer)
Show SMILES COc1ccccc1\C(C)=C\c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+
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n/an/a 1.28E+4n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33405
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 11)
Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)
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n/an/a 1.34E+4n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33404
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 10)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H20N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,9-10,13H,6-8H2,1H3,(H4,19,20,21,22)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33394
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1a | E-isomer)
Show SMILES COc1ccccc1\C(C)=C\c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+
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n/an/a 1.45E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33396
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 2 | E/Z ratio=2:...)
Show SMILES CCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H20N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-10H,3,6H2,1-2H3,(H4,19,20,21,22)/b11-9-
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n/an/a 1.52E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33407
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 13)
Show SMILES CCC(C)C(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-8,10-11,14H,4,9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 1.54E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33394
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1a | E-isomer)
Show SMILES COc1ccccc1\C(C)=C\c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+
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n/an/a 1.64E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33407
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 13)
Show SMILES CCC(C)C(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-8,10-11,14H,4,9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 1.74E+4n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33396
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 2 | E/Z ratio=2:...)
Show SMILES CCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H20N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-10H,3,6H2,1-2H3,(H4,19,20,21,22)/b11-9-
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n/an/a 1.78E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33403
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 9)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 1.82E+4n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33394
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1a | E-isomer)
Show SMILES COc1ccccc1\C(C)=C\c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+
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n/an/a 1.85E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33405
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 11)
Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)
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n/an/a 1.96E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33406
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 12)
Show SMILES COc1ccccc1C(CC(C)C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H24N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 2.22E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33398
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 4 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,8-10H,6-7H2,1H3,(H4,19,20,21,22)/b13-8-
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n/an/a 2.22E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33400
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 6 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(CC(C)C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,9-11H,8H2,1-3H3,(H4,20,21,22,23)/b12-9-
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n/an/a 2.49E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33399
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 5 | E/Z ratio=3:...)
Show SMILES CCCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10-
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n/an/a 2.59E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33402
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 8)
Show SMILES CCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H22N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H4,19,20,21,22)
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n/an/a 2.59E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33399
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 5 | E/Z ratio=3:...)
Show SMILES CCCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10-
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n/an/a 2.99E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33402
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 8)
Show SMILES CCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H22N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H4,19,20,21,22)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33395
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1b | Z-isomer)
Show SMILES COc1ccccc1\C(C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33395
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1b | Z-isomer)
Show SMILES COc1ccccc1\C(C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7-
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n/an/a 3.03E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM33399
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 5 | E/Z ratio=3:...)
Show SMILES CCCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10-
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n/an/a 3.03E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33402
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 8)
Show SMILES CCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H22N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H4,19,20,21,22)
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n/an/a 3.08E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33405
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 11)
Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)
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n/an/a 3.09E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33399
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 5 | E/Z ratio=3:...)
Show SMILES CCCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10-
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n/an/a 3.12E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33399
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 5 | E/Z ratio=3:...)
Show SMILES CCCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10-
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n/an/a 3.33E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33397
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 3 | E/Z ratio=3:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,(H4,19,20,21,22)/b13-8-
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n/an/a 3.40E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33407
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 13)
Show SMILES CCC(C)C(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-8,10-11,14H,4,9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 3.45E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33406
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 12)
Show SMILES COc1ccccc1C(CC(C)C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H24N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 3.54E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33396
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 2 | E/Z ratio=2:...)
Show SMILES CCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H20N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-10H,3,6H2,1-2H3,(H4,19,20,21,22)/b11-9-
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n/an/a 3.70E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33406
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 12)
Show SMILES COc1ccccc1C(CC(C)C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H24N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 3.93E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33406
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 12)
Show SMILES COc1ccccc1C(CC(C)C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H24N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33407
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 13)
Show SMILES CCC(C)C(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-8,10-11,14H,4,9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 4.21E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33402
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 8)
Show SMILES CCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H22N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H4,19,20,21,22)
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n/an/a 4.25E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33400
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 6 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(CC(C)C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,9-11H,8H2,1-3H3,(H4,20,21,22,23)/b12-9-
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n/an/a 4.39E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33407
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 13)
Show SMILES CCC(C)C(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-8,10-11,14H,4,9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 4.45E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33407
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 13)
Show SMILES CCC(C)C(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-8,10-11,14H,4,9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 4.51E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM33405
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 11)
Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)
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n/an/a 4.67E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33394
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1a | E-isomer)
Show SMILES COc1ccccc1\C(C)=C\c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+
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n/an/a>5.00E+4n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33400
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 6 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(CC(C)C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,9-11H,8H2,1-3H3,(H4,20,21,22,23)/b12-9-
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n/an/a 5.19E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33400
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 6 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(CC(C)C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,9-11H,8H2,1-3H3,(H4,20,21,22,23)/b12-9-
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n/an/a 5.26E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33403
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 9)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 5.36E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33401
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 7 | E/Z ratio=3:...)
Show SMILES CCC(C)C(=C\c1coc2nc(N)nc(N)c12)\c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9-
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n/an/a 5.50E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33404
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 10)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H20N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,9-10,13H,6-8H2,1H3,(H4,19,20,21,22)
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n/an/a 5.65E+4n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33406
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 12)
Show SMILES COc1ccccc1C(CC(C)C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H24N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 6.27E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM33394
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1a | E-isomer)
Show SMILES COc1ccccc1\C(C)=C\c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+
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n/an/a 7.70E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33400
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 6 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(CC(C)C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,9-11H,8H2,1-3H3,(H4,20,21,22,23)/b12-9-
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n/an/a 8.65E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33396
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 2 | E/Z ratio=2:...)
Show SMILES CCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H20N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-10H,3,6H2,1-2H3,(H4,19,20,21,22)/b11-9-
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n/an/a 8.82E+4n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM33405
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 11)
Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)
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n/an/a 9.39E+4n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33397
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 3 | E/Z ratio=3:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,(H4,19,20,21,22)/b13-8-
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n/an/a 1.11E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33403
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 9)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H22N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-7,9-10,13H,8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 1.18E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33395
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1b | Z-isomer)
Show SMILES COc1ccccc1\C(C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7-
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n/an/a 1.52E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33396
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 2 | E/Z ratio=2:...)
Show SMILES CCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H20N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-10H,3,6H2,1-2H3,(H4,19,20,21,22)/b11-9-
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n/an/a 1.60E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33402
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 8)
Show SMILES CCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H22N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H4,19,20,21,22)
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n/an/a 1.62E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM33405
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 11)
Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)
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n/an/a 1.87E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
Standard DHFR assays were conducted at 37 deg C with continuous recording of change of OD at 340 nm. All determinations of IC50 were made by fitting ...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33405
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 11)
Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33399
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 5 | E/Z ratio=3:...)
Show SMILES CCCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33406
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 12)
Show SMILES COc1ccccc1C(CC(C)C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H24N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3,(H4,20,21,22,23)
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33397
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 3 | E/Z ratio=3:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,(H4,19,20,21,22)/b13-8-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33398
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 4 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,8-10H,6-7H2,1H3,(H4,19,20,21,22)/b13-8-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33400
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 6 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(CC(C)C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,9-11H,8H2,1-3H3,(H4,20,21,22,23)/b12-9-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33401
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 7 | E/Z ratio=3:...)
Show SMILES CCC(C)C(=C\c1coc2nc(N)nc(N)c12)\c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33404
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 10)
Show SMILES COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H20N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,9-10,13H,6-8H2,1H3,(H4,19,20,21,22)
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33402
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 8)
Show SMILES CCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H22N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H4,19,20,21,22)
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33400
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 6 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(CC(C)C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,9-11H,8H2,1-3H3,(H4,20,21,22,23)/b12-9-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM33398
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 4 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,8-10H,6-7H2,1H3,(H4,19,20,21,22)/b13-8-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33407
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 13)
Show SMILES CCC(C)C(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-8,10-11,14H,4,9H2,1-3H3,(H4,20,21,22,23)
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33395
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 1b | Z-isomer)
Show SMILES COc1ccccc1\C(C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33401
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 7 | E/Z ratio=3:...)
Show SMILES CCC(C)C(=C\c1coc2nc(N)nc(N)c12)\c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9-
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n/an/a>2.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33402
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 8)
Show SMILES CCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C18H22N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H4,19,20,21,22)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33406
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 12)
Show SMILES COc1ccccc1C(CC(C)C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H24N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3,(H4,20,21,22,23)
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n/an/a>5.00E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33405
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 11)
Show SMILES CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H4,20,21,22,23)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33401
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 7 | E/Z ratio=3:...)
Show SMILES CCC(C)C(=C\c1coc2nc(N)nc(N)c12)\c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9-
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33400
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 6 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(CC(C)C)=C/c1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,9-11H,8H2,1-3H3,(H4,20,21,22,23)/b12-9-
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33398
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 4 | E/Z ratio=2:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C1CC1
Show InChI InChI=1S/C18H18N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,8-10H,6-7H2,1H3,(H4,19,20,21,22)/b13-8-
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33406
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 12)
Show SMILES COc1ccccc1C(CC(C)C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H24N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3,(H4,20,21,22,23)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33399
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 5 | E/Z ratio=3:...)
Show SMILES CCCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10-
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33407
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 13)
Show SMILES CCC(C)C(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H24N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-8,10-11,14H,4,9H2,1-3H3,(H4,20,21,22,23)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM33397
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 3 | E/Z ratio=3:...)
Show SMILES COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C(C)C
Show InChI InChI=1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,(H4,19,20,21,22)/b13-8-
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM33399
PNG
(2,4-diaminofuro[2,3-d]pyrimidine, 5 | E/Z ratio=3:...)
Show SMILES CCCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
Show InChI InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10-
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n/an/a 5.29E+5n/an/an/an/a7.437



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...


Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%