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PubMed code 19152636

Compile data set for download or QSAR
Found 26 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
Dihydrofolate reductase


(Candida Glabrata)
BDBM50298801
PNG
((+/-)-5-(3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)...)
Show SMILES COc1cc(cc(c1)-c1cc(C)cc(C)c1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C24H26N4O/c1-14-8-15(2)10-19(9-14)20-11-18(12-21(13-20)29-5)16(3)6-7-22-17(4)27-24(26)28-23(22)25/h8-13,16H,1-5H3,(H4,25,26,27,28)
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n/an/a 0.550n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida Glabrata)
BDBM50298800
PNG
((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...)
Show SMILES COc1cc(cc(c1)-c1ccc(C)cc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)
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n/an/a 0.610n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida Glabrata)
BDBM25820
PNG
(5-{3-[3-(2,6-dimethylphenyl)-5-methoxyphenyl]but-1...)
Show SMILES COc1cc(cc(c1)-c1c(C)cccc1C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)
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n/an/a 5.5n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Candida Glabrata)
BDBM50298809
PNG
((+/-)-5-(3-(4',5-dimethoxybiphenyl-3-yl)but-1-ynyl...)
Show SMILES COc1ccc(cc1)-c1cc(OC)cc(c1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O2/c1-14(5-10-21-15(2)26-23(25)27-22(21)24)17-11-18(13-20(12-17)29-4)16-6-8-19(28-3)9-7-16/h6-9,11-14H,1-4H3,(H4,24,25,26,27)
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n/an/a 6.40n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Candida Glabrata)
BDBM25818
PNG
(5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...)
Show SMILES COc1cc(cc(c1)-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26)
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n/an/a 7.30n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida Glabrata)
BDBM25819
PNG
(5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-...)
Show SMILES COc1cc(cc(c1)-c1ccccc1C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14(9-10-21-16(3)26-23(25)27-22(21)24)17-11-18(13-19(12-17)28-4)20-8-6-5-7-15(20)2/h5-8,11-14H,1-4H3,(H4,24,25,26,27)
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n/an/a 7.30n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Candida Glabrata)
BDBM50298802
PNG
((+/-)-5-(3-(4'-tert-butyl-5-methoxybiphenyl-3-yl)b...)
Show SMILES COc1cc(cc(c1)-c1ccc(cc1)C(C)(C)C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C26H30N4O/c1-16(7-12-23-17(2)29-25(28)30-24(23)27)19-13-20(15-22(14-19)31-6)18-8-10-21(11-9-18)26(3,4)5/h8-11,13-16H,1-6H3,(H4,27,28,29,30)
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n/an/a 10n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Candida Glabrata)
BDBM50329608
PNG
(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)
Show SMILES COc1cc(cc(OC)c1OC)C(C)(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C19H24N4O3/c1-11-13(17(20)23-18(21)22-11)7-8-19(2,3)12-9-14(24-4)16(26-6)15(10-12)25-5/h9-10H,1-6H3,(H4,20,21,22,23)
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n/an/a 11n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida Glabrata)
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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n/an/a 17n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Candida Glabrata)
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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n/an/a 25n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Candida Glabrata)
BDBM50298803
PNG
((+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1...)
Show SMILES CCC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H24N4O3/c1-6-12(7-8-14-11(2)22-19(21)23-18(14)20)13-9-15(24-3)17(26-5)16(10-13)25-4/h9-10,12H,6H2,1-5H3,(H4,20,21,22,23)
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n/an/a 27n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida Glabrata)
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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n/an/a 30n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Candida Glabrata)
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 39n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50298809
PNG
((+/-)-5-(3-(4',5-dimethoxybiphenyl-3-yl)but-1-ynyl...)
Show SMILES COc1ccc(cc1)-c1cc(OC)cc(c1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O2/c1-14(5-10-21-15(2)26-23(25)27-22(21)24)17-11-18(13-20(12-17)29-4)16-6-8-19(28-3)9-7-16/h6-9,11-14H,1-4H3,(H4,24,25,26,27)
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n/an/a 180n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50298803
PNG
((+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1...)
Show SMILES CCC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H24N4O3/c1-6-12(7-8-14-11(2)22-19(21)23-18(14)20)13-9-15(24-3)17(26-5)16(10-13)25-4/h9-10,12H,6H2,1-5H3,(H4,20,21,22,23)
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n/an/a 200n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50298802
PNG
((+/-)-5-(3-(4'-tert-butyl-5-methoxybiphenyl-3-yl)b...)
Show SMILES COc1cc(cc(c1)-c1ccc(cc1)C(C)(C)C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C26H30N4O/c1-16(7-12-23-17(2)29-25(28)30-24(23)27)19-13-20(15-22(14-19)31-6)18-8-10-21(11-9-18)26(3,4)5/h8-11,13-16H,1-6H3,(H4,27,28,29,30)
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n/an/a 210n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50329608
PNG
(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)
Show SMILES COc1cc(cc(OC)c1OC)C(C)(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C19H24N4O3/c1-11-13(17(20)23-18(21)22-11)7-8-19(2,3)12-9-14(24-4)16(26-6)15(10-12)25-5/h9-10H,1-6H3,(H4,20,21,22,23)
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n/an/a 290n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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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n/an/a 400n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50298801
PNG
((+/-)-5-(3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)...)
Show SMILES COc1cc(cc(c1)-c1cc(C)cc(C)c1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C24H26N4O/c1-14-8-15(2)10-19(9-14)20-11-18(12-21(13-20)29-5)16(3)6-7-22-17(4)27-24(26)28-23(22)25/h8-13,16H,1-5H3,(H4,25,26,27,28)
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PubMed
n/an/a 750n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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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Article
PubMed
n/an/a 1.22E+3n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM25820
PNG
(5-{3-[3-(2,6-dimethylphenyl)-5-methoxyphenyl]but-1...)
Show SMILES COc1cc(cc(c1)-c1c(C)cccc1C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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 1.38E+3n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50298800
PNG
((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...)
Show SMILES COc1cc(cc(c1)-c1ccc(C)cc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM25819
PNG
(5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-...)
Show SMILES COc1cc(cc(c1)-c1ccccc1C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14(9-10-21-16(3)26-23(25)27-22(21)24)17-11-18(13-19(12-17)28-4)20-8-6-5-7-15(20)2/h5-8,11-14H,1-4H3,(H4,24,25,26,27)
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM25818
PNG
(5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...)
Show SMILES COc1cc(cc(c1)-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26)
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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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Article
PubMed
n/an/a 5.71E+3n/an/an/an/an/an/a



University of Connecticut



Assay Description
Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.


Chem Biol Drug Des 73: 62-74 (2009)


Article DOI: 10.1111/j.1747-0285.2008.00745.x
BindingDB Entry DOI: 10.7270/Q29K48RZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%