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BDBM33394 2,4-diaminofuro[2,3-d]pyrimidine, 1a::E-isomer

SMILES: COc1ccccc1\C(C)=C\c1coc2nc(N)nc(N)c12

InChI Key: InChIKey=JXICVPBZQSPDOK-VQHVLOKHSA-N

Data: 8 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 33394   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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Article
PubMed
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)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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NCI pathway
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Article
PubMed
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)

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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NCI pathway
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Article
PubMed
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)

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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Article
PubMed
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)

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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Article
PubMed
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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PubMed
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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Reactome pathway
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Article
PubMed
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
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)

More data for this
Ligand-Target Pair