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PubMed code 17269758

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
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
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18497
PNG
(6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)but-1-y...)
Show SMILES COc1cc(cc(OC)c1OC)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r|
Show InChI InChI=1S/C18H22N4O3/c1-10(6-7-13-11(2)21-18(20)22-17(13)19)12-8-14(23-3)16(25-5)15(9-12)24-4/h8-10H,1-5H3,(H4,19,20,21,22)/t10-/m0/s1
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Article
PubMed
n/an/a 1.40n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18498
PNG
(6-methyl-5-[(3S)-3-(3,4,5-trimethoxyphenyl)but-1-y...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C)C#Cc1c(C)nc(N)nc1N |r|
Show InChI InChI=1S/C18H22N4O3/c1-10(6-7-13-11(2)21-18(20)22-17(13)19)12-8-14(23-3)16(25-5)15(9-12)24-4/h8-10H,1-5H3,(H4,19,20,21,22)/t10-/m1/s1
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Article
PubMed
n/an/a 13n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18497
PNG
(6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)but-1-y...)
Show SMILES COc1cc(cc(OC)c1OC)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r|
Show InChI InChI=1S/C18H22N4O3/c1-10(6-7-13-11(2)21-18(20)22-17(13)19)12-8-14(23-3)16(25-5)15(9-12)24-4/h8-10H,1-5H3,(H4,19,20,21,22)/t10-/m0/s1
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PubMed
n/an/a 38n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18492
PNG
(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Show SMILES COc1cc(cc(OC)c1OC)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C18H22N4O3/c1-10(6-7-13-11(2)21-18(20)22-17(13)19)12-8-14(23-3)16(25-5)15(9-12)24-4/h8-10H,1-5H3,(H4,19,20,21,22)
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PubMed
n/an/a 120n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18492
PNG
(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-y...)
Show SMILES COc1cc(cc(OC)c1OC)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C18H22N4O3/c1-10(6-7-13-11(2)21-18(20)22-17(13)19)12-8-14(23-3)16(25-5)15(9-12)24-4/h8-10H,1-5H3,(H4,19,20,21,22)
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Article
PubMed
n/an/a 169n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18496
PNG
(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Show SMILES COC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H22N4O4/c1-10-12(17(19)22-18(20)21-10)6-7-13(23-2)11-8-14(24-3)16(26-5)15(9-11)25-4/h8-9,13H,1-5H3,(H4,19,20,21,22)
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PubMed
n/an/a 550n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18490
PNG
(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Show SMILES COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C17H20N4O3/c1-10-12(16(18)21-17(19)20-10)7-5-6-11-8-13(22-2)15(24-4)14(9-11)23-3/h8-9H,6H2,1-4H3,(H4,18,19,20,21)
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PubMed
n/an/a 880n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18498
PNG
(6-methyl-5-[(3S)-3-(3,4,5-trimethoxyphenyl)but-1-y...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C)C#Cc1c(C)nc(N)nc1N |r|
Show InChI InChI=1S/C18H22N4O3/c1-10(6-7-13-11(2)21-18(20)22-17(13)19)12-8-14(23-3)16(25-5)15(9-12)24-4/h8-10H,1-5H3,(H4,19,20,21,22)/t10-/m1/s1
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Article
PubMed
n/an/a 1.91E+3n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18491
PNG
(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)
Show SMILES COc1cc(cc(OC)c1OC)C(C)C#Cc1cnc(N)nc1N
Show InChI InChI=1S/C17H20N4O3/c1-10(5-6-11-9-20-17(19)21-16(11)18)12-7-13(22-2)15(24-4)14(8-12)23-3/h7-10H,1-4H3,(H4,18,19,20,21)
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PubMed
n/an/a 3.10E+3n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18496
PNG
(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Show SMILES COC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H22N4O4/c1-10-12(17(19)22-18(20)21-10)6-7-13(23-2)11-8-14(24-3)16(26-5)15(9-11)25-4/h8-9,13H,1-5H3,(H4,19,20,21,22)
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PubMed
n/an/a 5.00E+3n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18491
PNG
(5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimid...)
Show SMILES COc1cc(cc(OC)c1OC)C(C)C#Cc1cnc(N)nc1N
Show InChI InChI=1S/C17H20N4O3/c1-10(5-6-11-9-20-17(19)21-16(11)18)12-7-13(22-2)15(24-4)14(8-12)23-3/h7-10H,1-4H3,(H4,18,19,20,21)
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PubMed
n/an/a 5.30E+3n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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PubMed
n/an/a 8.00E+3n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18494
PNG
(3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-tr...)
Show SMILES COc1cc(cc(OC)c1OC)C(O)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C17H20N4O4/c1-9-11(16(18)21-17(19)20-9)5-6-12(22)10-7-13(23-2)15(25-4)14(8-10)24-3/h7-8,12,22H,1-4H3,(H4,18,19,20,21)
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PubMed
n/an/a 9.10E+3n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18495
PNG
(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Show SMILES COC(C#Cc1cnc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C17H20N4O4/c1-22-12(6-5-10-9-20-17(19)21-16(10)18)11-7-13(23-2)15(25-4)14(8-11)24-3/h7-9,12H,1-4H3,(H4,18,19,20,21)
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n/an/a 9.80E+3n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18490
PNG
(6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-...)
Show SMILES COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C17H20N4O3/c1-10-12(16(18)21-17(19)20-10)7-5-6-11-8-13(22-2)15(24-4)14(9-11)23-3/h8-9H,6H2,1-4H3,(H4,18,19,20,21)
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PubMed
n/an/a 1.02E+4n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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PubMed
n/an/a 1.40E+4n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18493
PNG
(3-(2,4-diaminopyrimidin-5-yl)-1-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(cc(OC)c1OC)C(O)C#Cc1cnc(N)nc1N
Show InChI InChI=1S/C16H18N4O4/c1-22-12-6-10(7-13(23-2)14(12)24-3)11(21)5-4-9-8-19-16(18)20-15(9)17/h6-8,11,21H,1-3H3,(H4,17,18,19,20)
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n/an/a 1.79E+4n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18489
PNG
(5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...)
Show SMILES COc1cc(CC#Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C16H18N4O3/c1-21-12-7-10(8-13(22-2)14(12)23-3)5-4-6-11-9-19-16(18)20-15(11)17/h7-9H,5H2,1-3H3,(H4,17,18,19,20)
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PubMed
n/an/a 2.17E+4n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18489
PNG
(5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimi...)
Show SMILES COc1cc(CC#Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C16H18N4O3/c1-21-12-7-10(8-13(22-2)14(12)23-3)5-4-6-11-9-19-16(18)20-15(11)17/h7-9H,5H2,1-3H3,(H4,17,18,19,20)
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Article
PubMed
n/an/a 8.61E+4n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM18488
PNG
(5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrimidine-2,4-...)
Show SMILES COc1cc(CCc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C15H20N4O3/c1-20-11-6-9(7-12(21-2)13(11)22-3)4-5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
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PubMed
n/an/a 9.02E+4n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18495
PNG
(5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1...)
Show SMILES COC(C#Cc1cnc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C17H20N4O4/c1-22-12(6-5-10-9-20-17(19)21-16(10)18)11-7-13(23-2)15(25-4)14(8-11)24-3/h7-9,12H,1-4H3,(H4,18,19,20,21)
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n/an/a 1.33E+5n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18494
PNG
(3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-tr...)
Show SMILES COc1cc(cc(OC)c1OC)C(O)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C17H20N4O4/c1-9-11(16(18)21-17(19)20-9)5-6-12(22)10-7-13(23-2)15(25-4)14(8-10)24-3/h7-8,12,22H,1-4H3,(H4,18,19,20,21)
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n/an/a 1.41E+5n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18493
PNG
(3-(2,4-diaminopyrimidin-5-yl)-1-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(cc(OC)c1OC)C(O)C#Cc1cnc(N)nc1N
Show InChI InChI=1S/C16H18N4O4/c1-22-12-6-10(7-13(23-2)14(12)24-3)11(21)5-4-9-8-19-16(18)20-15(9)17/h6-8,11,21H,1-3H3,(H4,17,18,19,20)
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n/an/a 1.94E+5n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18486
PNG
(5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidin...)
Show SMILES COc1cc(\C=C\c2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C15H18N4O3/c1-20-11-6-9(7-12(21-2)13(11)22-3)4-5-10-8-18-15(17)19-14(10)16/h4-8H,1-3H3,(H4,16,17,18,19)/b5-4+
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n/an/a>1.00E+6n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18487
PNG
(5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidin...)
Show SMILES COc1cc(\C=C/c2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C15H18N4O3/c1-20-11-6-9(7-12(21-2)13(11)22-3)4-5-10-8-18-15(17)19-14(10)16/h4-8H,1-3H3,(H4,16,17,18,19)/b5-4-
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n/an/a>1.00E+6n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18485
PNG
(5-[2-(3,4,5-trimethoxyphenyl)ethynyl]pyrimidine-2,...)
Show SMILES COc1cc(cc(OC)c1OC)C#Cc1cnc(N)nc1N
Show InChI InChI=1S/C15H16N4O3/c1-20-11-6-9(7-12(21-2)13(11)22-3)4-5-10-8-18-15(17)19-14(10)16/h6-8H,1-3H3,(H4,16,17,18,19)
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n/an/a>1.00E+6n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM18488
PNG
(5-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrimidine-2,4-...)
Show SMILES COc1cc(CCc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C15H20N4O3/c1-20-11-6-9(7-12(21-2)13(11)22-3)4-5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
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n/an/a>1.00E+6n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)


Article DOI: 10.1021/jm061027h
BindingDB Entry DOI: 10.7270/Q2KH0KKQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%