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5 similar compounds to monomer 50041175

Compile data set for download or QSAR
Wt: 315.3
BDBM50041180
Wt: 329.3
BDBM50063979
Wt: 285.3
BDBM50063981
Wt: 347.3
BDBM50063983
Wt: 347.3
BDBM50063986

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50041180,50063979,50063981,50063983,50063986   
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


(Homo sapiens (Human))
BDBM50041180
PNG
(5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...)
Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1
Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for DHFR in recombinant human


J Med Chem 37: 1169-76 (1994)


Article DOI: 10.1021/jm00034a015
BindingDB Entry DOI: 10.7270/Q2K64H4G
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50063983
PNG
(5-((4-phenoxyphenylamino)methyl)furo[2,3-d]pyrimid...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Oc4ccccc4)cc3)coc2n1
Show InChI InChI=1S/C19H17N5O2/c20-17-16-12(11-25-18(16)24-19(21)23-17)10-22-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,11,22H,10H2,(H4,20,21,23,24)
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n/an/a 3.24E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay


Bioorg Med Chem 18: 1684-701 (2010)


Article DOI: 10.1016/j.bmc.2009.12.066
BindingDB Entry DOI: 10.7270/Q2668D9K
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50041180
PNG
(5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...)
Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1
Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)
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n/an/a>2.10E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for DHFR in Toxoplasma gondii


J Med Chem 37: 1169-76 (1994)


Article DOI: 10.1021/jm00034a015
BindingDB Entry DOI: 10.7270/Q2K64H4G
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50041180
PNG
(5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...)
Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1
Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)
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n/an/a>2.10E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for DHFR in Pneumocystis carinii


J Med Chem 37: 1169-76 (1994)


Article DOI: 10.1021/jm00034a015
BindingDB Entry DOI: 10.7270/Q2K64H4G
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50041180
PNG
(5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...)
Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1
Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)
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n/an/a>3.10E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for DHFR in Lactobacillus casei


J Med Chem 37: 1169-76 (1994)


Article DOI: 10.1021/jm00034a015
BindingDB Entry DOI: 10.7270/Q2K64H4G
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50063979
PNG
(5-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-f...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H19N5O3/c1-21(11-6-10(22-2)4-5-12(11)23-3)7-9-8-24-15-13(9)14(17)19-16(18)20-15/h4-6,8H,7H2,1-3H3,(H4,17,18,19,20)
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n/an/a>2.70E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from Toxoplasma gondii


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50063986
PNG
(5-[(2-Phenoxy-phenylamino)-methyl]-furo[2,3-d]pyri...)
Show SMILES Nc1nc(N)c2c(CNc3ccccc3Oc3ccccc3)coc2n1
Show InChI InChI=1S/C19H17N5O2/c20-17-16-12(11-25-18(16)24-19(21)23-17)10-22-14-8-4-5-9-15(14)26-13-6-2-1-3-7-13/h1-9,11,22H,10H2,(H4,20,21,23,24)
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n/an/a>1.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from pneumocystis carnii


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50063981
PNG
(5-[(3-Methoxy-phenylamino)-methyl]-furo[2,3-d]pyri...)
Show SMILES COc1cccc(NCc2coc3nc(N)nc(N)c23)c1
Show InChI InChI=1S/C14H15N5O2/c1-20-10-4-2-3-9(5-10)17-6-8-7-21-13-11(8)12(15)18-14(16)19-13/h2-5,7,17H,6H2,1H3,(H4,15,16,18,19)
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n/an/a>3.13E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from Toxoplasma gondii


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50063986
PNG
(5-[(2-Phenoxy-phenylamino)-methyl]-furo[2,3-d]pyri...)
Show SMILES Nc1nc(N)c2c(CNc3ccccc3Oc3ccccc3)coc2n1
Show InChI InChI=1S/C19H17N5O2/c20-17-16-12(11-25-18(16)24-19(21)23-17)10-22-14-8-4-5-9-15(14)26-13-6-2-1-3-7-13/h1-9,11,22H,10H2,(H4,20,21,23,24)
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n/an/a>1.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from Toxoplasma gondii


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50063981
PNG
(5-[(3-Methoxy-phenylamino)-methyl]-furo[2,3-d]pyri...)
Show SMILES COc1cccc(NCc2coc3nc(N)nc(N)c23)c1
Show InChI InChI=1S/C14H15N5O2/c1-20-10-4-2-3-9(5-10)17-6-8-7-21-13-11(8)12(15)18-14(16)19-13/h2-5,7,17H,6H2,1H3,(H4,15,16,18,19)
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n/an/a>3.13E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from pneumocystis carnii


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50063979
PNG
(5-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-f...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H19N5O3/c1-21(11-6-10(22-2)4-5-12(11)23-3)7-9-8-24-15-13(9)14(17)19-16(18)20-15/h4-6,8H,7H2,1-3H3,(H4,17,18,19,20)
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n/an/a>2.70E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from pneumocystis carnii


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50063983
PNG
(5-((4-phenoxyphenylamino)methyl)furo[2,3-d]pyrimid...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Oc4ccccc4)cc3)coc2n1
Show InChI InChI=1S/C19H17N5O2/c20-17-16-12(11-25-18(16)24-19(21)23-17)10-22-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,11,22H,10H2,(H4,20,21,23,24)
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n/an/a 3.24E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from Toxoplasma gondii


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50063983
PNG
(5-((4-phenoxyphenylamino)methyl)furo[2,3-d]pyrimid...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Oc4ccccc4)cc3)coc2n1
Show InChI InChI=1S/C19H17N5O2/c20-17-16-12(11-25-18(16)24-19(21)23-17)10-22-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,11,22H,10H2,(H4,20,21,23,24)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from pneumocystis carnii


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50063983
PNG
(5-((4-phenoxyphenylamino)methyl)furo[2,3-d]pyrimid...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Oc4ccccc4)cc3)coc2n1
Show InChI InChI=1S/C19H17N5O2/c20-17-16-12(11-25-18(16)24-19(21)23-17)10-22-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,11,22H,10H2,(H4,20,21,23,24)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from rat liver


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50063986
PNG
(5-[(2-Phenoxy-phenylamino)-methyl]-furo[2,3-d]pyri...)
Show SMILES Nc1nc(N)c2c(CNc3ccccc3Oc3ccccc3)coc2n1
Show InChI InChI=1S/C19H17N5O2/c20-17-16-12(11-25-18(16)24-19(21)23-17)10-22-14-8-4-5-9-15(14)26-13-6-2-1-3-7-13/h1-9,11,22H,10H2,(H4,20,21,23,24)
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n/an/a>1.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from rat liver


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50063979
PNG
(5-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-f...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1coc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H19N5O3/c1-21(11-6-10(22-2)4-5-12(11)23-3)7-9-8-24-15-13(9)14(17)19-16(18)20-15/h4-6,8H,7H2,1-3H3,(H4,17,18,19,20)
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n/an/a>2.70E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from rat liver


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50063981
PNG
(5-[(3-Methoxy-phenylamino)-methyl]-furo[2,3-d]pyri...)
Show SMILES COc1cccc(NCc2coc3nc(N)nc(N)c23)c1
Show InChI InChI=1S/C14H15N5O2/c1-20-10-4-2-3-9(5-10)17-6-8-7-21-13-11(8)12(15)18-14(16)19-13/h2-5,7,17H,6H2,1H3,(H4,15,16,18,19)
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n/an/a>3.13E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase from rat liver


J Med Chem 41: 1263-71 (1998)


Article DOI: 10.1021/jm970537w
BindingDB Entry DOI: 10.7270/Q2J965J6
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50063983
PNG
(5-((4-phenoxyphenylamino)methyl)furo[2,3-d]pyrimid...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Oc4ccccc4)cc3)coc2n1
Show InChI InChI=1S/C19H17N5O2/c20-17-16-12(11-25-18(16)24-19(21)23-17)10-22-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,11,22H,10H2,(H4,20,21,23,24)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)


Article DOI: 10.1021/jm040153n
BindingDB Entry DOI: 10.7270/Q2V40TQ3
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50063983
PNG
(5-((4-phenoxyphenylamino)methyl)furo[2,3-d]pyrimid...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Oc4ccccc4)cc3)coc2n1
Show InChI InChI=1S/C19H17N5O2/c20-17-16-12(11-25-18(16)24-19(21)23-17)10-22-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,11,22H,10H2,(H4,20,21,23,24)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of rat liver dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)


Article DOI: 10.1021/jm040153n
BindingDB Entry DOI: 10.7270/Q2V40TQ3
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50063983
PNG
(5-((4-phenoxyphenylamino)methyl)furo[2,3-d]pyrimid...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Oc4ccccc4)cc3)coc2n1
Show InChI InChI=1S/C19H17N5O2/c20-17-16-12(11-25-18(16)24-19(21)23-17)10-22-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,11,22H,10H2,(H4,20,21,23,24)
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n/an/a 3.24E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)


Article DOI: 10.1021/jm040153n
BindingDB Entry DOI: 10.7270/Q2V40TQ3
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50063983
PNG
(5-((4-phenoxyphenylamino)methyl)furo[2,3-d]pyrimid...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Oc4ccccc4)cc3)coc2n1
Show InChI InChI=1S/C19H17N5O2/c20-17-16-12(11-25-18(16)24-19(21)23-17)10-22-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,11,22H,10H2,(H4,20,21,23,24)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of rat liver DHFR by spectrophotometric assay


Bioorg Med Chem 18: 1684-701 (2010)


Article DOI: 10.1016/j.bmc.2009.12.066
BindingDB Entry DOI: 10.7270/Q2668D9K
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50041180
PNG
(5-[(2,5-Dimethoxy-phenylamino)-methyl]-furo[2,3-d]...)
Show SMILES COc1ccc(OC)c(NCc2coc3nc(N)nc(N)c23)c1
Show InChI InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)
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n/an/a>2.10E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for DHFR in rat liver


J Med Chem 37: 1169-76 (1994)


Article DOI: 10.1021/jm00034a015
BindingDB Entry DOI: 10.7270/Q2K64H4G
More data for this
Ligand-Target Pair