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BDBM33395 2,4-diaminofuro[2,3-d]pyrimidine, 1b::Z-isomer

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

InChI Key: InChIKey=JXICVPBZQSPDOK-CLFYSBASSA-N

Data: 8 IC50

PDB links: 2 PDB IDs match 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 = 33395   
Target
(Institution)
LigandTarget
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
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-
UniProtKB/SwissProt

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PC sid
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UniChem

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Article
PubMed
n/an/a 3.94E+3n/an/an/an/a7.437



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 ...


Citation and Details
More data for this
Ligand-Target Pair
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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Article
PubMed
n/an/a 3.90E+3n/an/an/an/a7.437



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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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Article
PubMed
n/an/a 3.00E+4n/an/an/an/a7.437



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 ...


Citation and Details
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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PubMed
n/an/a 1.02E+4n/an/an/an/a7.437



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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial 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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PubMed
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...


Citation and Details
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(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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Article
PubMed
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...


Citation and Details
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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Article
PubMed
n/an/a 1.90E+3n/an/an/an/a7.437



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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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-
PDB
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Reactome pathway
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Article
PubMed
n/an/a 3.03E+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...


Citation and Details
More data for this
Ligand-Target Pair