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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50421786'   
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


(Plasmodium berghei (strain Anka))
BDBM50421786
PNG
(CHEMBL287553)
Show SMILES COc1c(C)cc(Cc2cnc(N)nc2N)cc1C
Show InChI InChI=1S/C14H18N4O/c1-8-4-10(5-9(2)12(8)19-3)6-11-7-17-14(16)18-13(11)15/h4-5,7H,6H2,1-3H3,(H4,15,16,17,18)
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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 120n/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


(Escherichia coli)
BDBM50421786
PNG
(CHEMBL287553)
Show SMILES COc1c(C)cc(Cc2cnc(N)nc2N)cc1C
Show InChI InChI=1S/C14H18N4O/c1-8-4-10(5-9(2)12(8)19-3)6-11-7-17-14(16)18-13(11)15/h4-5,7H,6H2,1-3H3,(H4,15,16,17,18)
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PC sid
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Article
PubMed
n/an/a 150n/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
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50421786
PNG
(CHEMBL287553)
Show SMILES COc1c(C)cc(Cc2cnc(N)nc2N)cc1C
Show InChI InChI=1S/C14H18N4O/c1-8-4-10(5-9(2)12(8)19-3)6-11-7-17-14(16)18-13(11)15/h4-5,7H,6H2,1-3H3,(H4,15,16,17,18)
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PC sid
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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of Neisseria gonorrhoeae Dihydrofolate reductase(DHFR)


J Med Chem 31: 122-9 (1988)


Article DOI: 10.1021/jm00396a018
BindingDB Entry DOI: 10.7270/Q24M95T9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Neisseria gonorrhoeae)
BDBM50421786
PNG
(CHEMBL287553)
Show SMILES COc1c(C)cc(Cc2cnc(N)nc2N)cc1C
Show InChI InChI=1S/C14H18N4O/c1-8-4-10(5-9(2)12(8)19-3)6-11-7-17-14(16)18-13(11)15/h4-5,7H,6H2,1-3H3,(H4,15,16,17,18)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/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


(Rattus norvegicus (rat))
BDBM50421786
PNG
(CHEMBL287553)
Show SMILES COc1c(C)cc(Cc2cnc(N)nc2N)cc1C
Show InChI InChI=1S/C14H18N4O/c1-8-4-10(5-9(2)12(8)19-3)6-11-7-17-14(16)18-13(11)15/h4-5,7H,6H2,1-3H3,(H4,15,16,17,18)
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PC sid
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Article
PubMed
n/an/a 2.50E+5n/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