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BDBM50108181 5-(2-Methoxy-5-pentyloxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL79890

SMILES: CCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1

InChI Key: InChIKey=QADNSFBOAKKJRW-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50108181   
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
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50108181
PNG
(5-(2-Methoxy-5-pentyloxy-benzyl)-pyrimidine-2,4-di...)
Show SMILES CCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C17H24N4O2/c1-3-4-5-8-23-14-6-7-15(22-2)12(10-14)9-13-11-20-17(19)21-16(13)18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H4,18,19,20,21)
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Article
PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of partially purified dihydrofolate reductase (DHFR) from rat liver


J Med Chem 45: 233-41 (2001)


Article DOI: 10.1021/jm010407u
BindingDB Entry DOI: 10.7270/Q2SX6CJ2
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50108181
PNG
(5-(2-Methoxy-5-pentyloxy-benzyl)-pyrimidine-2,4-di...)
Show SMILES CCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C17H24N4O2/c1-3-4-5-8-23-14-6-7-15(22-2)12(10-14)9-13-11-20-17(19)21-16(13)18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H4,18,19,20,21)
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PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase.


J Med Chem 45: 233-41 (2001)


Article DOI: 10.1021/jm010407u
BindingDB Entry DOI: 10.7270/Q2SX6CJ2
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50108181
PNG
(5-(2-Methoxy-5-pentyloxy-benzyl)-pyrimidine-2,4-di...)
Show SMILES CCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C17H24N4O2/c1-3-4-5-8-23-14-6-7-15(22-2)12(10-14)9-13-11-20-17(19)21-16(13)18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H4,18,19,20,21)
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Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of partially purified dihydrofolate reductase (DHFR) from Toxoplasma gondii (Tg)


J Med Chem 45: 233-41 (2001)


Article DOI: 10.1021/jm010407u
BindingDB Entry DOI: 10.7270/Q2SX6CJ2
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50108181
PNG
(5-(2-Methoxy-5-pentyloxy-benzyl)-pyrimidine-2,4-di...)
Show SMILES CCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C17H24N4O2/c1-3-4-5-8-23-14-6-7-15(22-2)12(10-14)9-13-11-20-17(19)21-16(13)18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H4,18,19,20,21)
PDB
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UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of partially purified dihydrofolate reductase (DHFR) from Mycobacterium avium (Ma)


J Med Chem 45: 233-41 (2001)


Article DOI: 10.1021/jm010407u
BindingDB Entry DOI: 10.7270/Q2SX6CJ2
More data for this
Ligand-Target Pair