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BDBM50018474 4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-phenol::CHEMBL23746

SMILES: CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O

InChI Key: InChIKey=WDRBPLXHBTYNRP-UHFFFAOYSA-N

Data: 1 KI  4 IC50

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 5 hits for monomerid = 50018474   
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


(Escherichia coli)
BDBM50018474
PNG
(4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O
Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)
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1.70n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against Escherichia coli DHFR


J Med Chem 32: 1949-58 (1989)


Article DOI: 10.1021/jm00128a043
BindingDB Entry DOI: 10.7270/Q2DF6Q6G
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50018474
PNG
(4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O
Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver


J Med Chem 30: 348-56 (1987)


Article DOI: 10.1021/jm00385a017
BindingDB Entry DOI: 10.7270/Q28C9XH6
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50018474
PNG
(4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O
Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)
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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)


Article DOI: 10.1021/jm00385a017
BindingDB Entry DOI: 10.7270/Q28C9XH6
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Neisseria gonorrhoeae)
BDBM50018474
PNG
(4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O
Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea


J Med Chem 30: 348-56 (1987)


Article DOI: 10.1021/jm00385a017
BindingDB Entry DOI: 10.7270/Q28C9XH6
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50018474
PNG
(4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O
Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)
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PubMed
n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli


J Med Chem 30: 348-56 (1987)


Article DOI: 10.1021/jm00385a017
BindingDB Entry DOI: 10.7270/Q28C9XH6
More data for this
Ligand-Target Pair