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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM33401'   
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
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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Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2ZC8167
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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Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2ZC8167
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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Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(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-
PDB
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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair