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BDBM50404462 4-Hydroxytrimethoprim::CHEMBL1181

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O

InChI Key: InChIKey=HPOCGNHBIFZCAN-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50404462   
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)
BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase enzyme purified from Escherichia coli


J Med Chem 23: 379-84 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
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n/an/a 9.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
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n/an/a 9.20E+4n/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)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase enzyme purified from Plasmodium berghei.


J Med Chem 23: 379-84 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
MMDB

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n/an/a 11n/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)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Neisseria gonorrhoeae)
BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
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n/an/a 330n/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)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
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n/an/a 9.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase enzyme purified from rat liver.


J Med Chem 23: 379-84 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 300n/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)

More data for this
Ligand-Target Pair