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BDBM50405959 CHEMBL31912

SMILES: CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1

InChI Key: InChIKey=ZWQLWJWDJCCGFN-UHFFFAOYSA-N

Data: 11 KI

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 11 hits for monomerid = 50405959   
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


(Gallus gallus (Chicken))
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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1.95E+4n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken liver dihydrofolate reductase


J Med Chem 32: 1895-905 (1989)


Article DOI: 10.1021/jm00128a035
BindingDB Entry DOI: 10.7270/Q2QR4ZB9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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1.86E+3n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Lactobacillus casei dihydrofolate reductase


J Med Chem 32: 1895-905 (1989)


Article DOI: 10.1021/jm00128a035
BindingDB Entry DOI: 10.7270/Q2QR4ZB9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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851n/an/an/an/an/an/an/an/a



Beijing Medical University

Curated by ChEMBL


Assay Description
Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase


J Med Chem 31: 366-70 (1988)


Article DOI: 10.1021/jm00397a017
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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1.95E+4n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken Dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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2.82E+3n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine liver Dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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1.00E+14n/an/an/an/an/an/an/an/a



Uniroyal Chemical Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against binding of Escherichia coli dihydrofolate reductase


J Med Chem 31: 1396-406 (1988)


Article DOI: 10.1021/jm00402a025
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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2.82E+3n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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1.86E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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851n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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851n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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1.95E+4n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken Dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair