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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 2886   
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


(Cryptosporidium hominis)
BDBM25826
PNG
(5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Show SMILES COc1cc(cc(c1)-c1ccccc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r|
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)/t14-/m0/s1
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Article
PubMed
n/an/a 1.10n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
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 1.80n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
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 2.10n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
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 2.10n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM25824
PNG
(5-{3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1...)
Show SMILES COc1cc(ccc1-c1c(C)cccc1C)C(C)C#Cc1c(C)nc(N)nc1N |(.48,.72,;1.82,1.49,;1.82,3.03,;.49,3.8,;.49,5.34,;1.82,6.11,;3.15,5.34,;3.15,3.8,;4.49,3.03,;4.49,1.49,;3.15,.72,;5.82,.72,;7.15,1.49,;7.15,3.03,;5.82,3.8,;5.82,5.34,;-.85,6.11,;-.85,7.65,;-2.18,5.34,;-3.52,4.57,;-4.85,3.8,;-4.85,2.26,;-3.52,1.49,;-6.18,1.49,;-7.52,2.26,;-8.85,1.49,;-7.52,3.8,;-6.18,4.57,;-6.18,6.11,)|
Show InChI InChI=1S/C24H26N4O/c1-14(9-11-19-17(4)27-24(26)28-23(19)25)18-10-12-20(21(13-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,10,12-14H,1-5H3,(H4,25,26,27,28)
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Article
PubMed
n/an/a 7.40n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM25821
PNG
(5-(3-{3-[2,6-bis(propan-2-yl)phenyl]-5-methoxyphen...)
Show SMILES COc1cc(cc(c1)-c1c(cccc1C(C)C)C(C)C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C28H34N4O/c1-16(2)23-9-8-10-24(17(3)4)26(23)21-13-20(14-22(15-21)33-7)18(5)11-12-25-19(6)31-28(30)32-27(25)29/h8-10,13-18H,1-7H3,(H4,29,30,31,32)
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Article
PubMed
n/an/a 10n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM25825
PNG
(5-(3-{4-[2,6-bis(propan-2-yl)phenyl]-3-methoxyphen...)
Show SMILES COc1cc(ccc1-c1c(cccc1C(C)C)C(C)C)C(C)C#Cc1c(C)nc(N)nc1N |(.48,.72,;1.82,1.49,;1.82,3.03,;.49,3.8,;.49,5.34,;1.82,6.11,;3.15,5.34,;3.15,3.8,;4.49,3.03,;5.82,3.8,;7.15,3.03,;7.15,1.49,;5.82,.72,;4.49,1.49,;3.4,.4,;3.4,-1.14,;1.86,.4,;5.82,5.34,;7.15,6.11,;4.49,6.11,;-.85,6.11,;-.85,7.65,;-2.18,5.34,;-3.52,4.57,;-4.85,3.8,;-4.85,2.26,;-3.52,1.49,;-6.18,1.49,;-7.52,2.26,;-8.85,1.49,;-7.52,3.8,;-6.18,4.57,;-6.18,6.11,)|
Show InChI InChI=1S/C28H34N4O/c1-16(2)21-9-8-10-22(17(3)4)26(21)24-14-12-20(15-25(24)33-7)18(5)11-13-23-19(6)31-28(30)32-27(23)29/h8-10,12,14-18H,1-7H3,(H4,29,30,31,32)
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PubMed
n/an/a 16n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM25822
PNG
(5-[3-(3-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-me...)
Show SMILES COc1cc(ccc1-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)
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Article
PubMed
n/an/a 19n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM25827
PNG
(5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Show SMILES COc1cc(cc(c1)-c1ccccc1)[C@H](C)C#Cc1c(C)nc(N)nc1N |r|
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)/t14-/m1/s1
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PubMed
n/an/a 30n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)
BDBM25823
PNG
(5-{3-[3-methoxy-4-(2-methylphenyl)phenyl]but-1-yn-...)
Show SMILES COc1cc(ccc1-c1ccccc1C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14(9-11-19-16(3)26-23(25)27-22(19)24)17-10-12-20(21(13-17)28-4)18-8-6-5-7-15(18)2/h5-8,10,12-14H,1-4H3,(H4,24,25,26,27)
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PubMed
n/an/a 36n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
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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Article
PubMed
n/an/a 38n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
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 1.25E+3n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
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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PubMed
n/an/a 1.36E+3n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM25826
PNG
(5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Show SMILES COc1cc(cc(c1)-c1ccccc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r|
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)/t14-/m0/s1
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PubMed
n/an/a 1.36E+3n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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 1.38E+3n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM25827
PNG
(5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Show SMILES COc1cc(cc(c1)-c1ccccc1)[C@H](C)C#Cc1c(C)nc(N)nc1N |r|
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)/t14-/m1/s1
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PubMed
n/an/a 1.38E+3n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM25822
PNG
(5-[3-(3-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-me...)
Show SMILES COc1cc(ccc1-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)
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PubMed
n/an/a 1.42E+3n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
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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PubMed
n/an/a 1.70E+3n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM25823
PNG
(5-{3-[3-methoxy-4-(2-methylphenyl)phenyl]but-1-yn-...)
Show SMILES COc1cc(ccc1-c1ccccc1C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14(9-11-19-16(3)26-23(25)27-22(19)24)17-10-12-20(21(13-17)28-4)18-8-6-5-7-15(18)2/h5-8,10,12-14H,1-4H3,(H4,24,25,26,27)
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PubMed
n/an/a 2.77E+3n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM25824
PNG
(5-{3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1...)
Show SMILES COc1cc(ccc1-c1c(C)cccc1C)C(C)C#Cc1c(C)nc(N)nc1N |(.48,.72,;1.82,1.49,;1.82,3.03,;.49,3.8,;.49,5.34,;1.82,6.11,;3.15,5.34,;3.15,3.8,;4.49,3.03,;4.49,1.49,;3.15,.72,;5.82,.72,;7.15,1.49,;7.15,3.03,;5.82,3.8,;5.82,5.34,;-.85,6.11,;-.85,7.65,;-2.18,5.34,;-3.52,4.57,;-4.85,3.8,;-4.85,2.26,;-3.52,1.49,;-6.18,1.49,;-7.52,2.26,;-8.85,1.49,;-7.52,3.8,;-6.18,4.57,;-6.18,6.11,)|
Show InChI InChI=1S/C24H26N4O/c1-14(9-11-19-17(4)27-24(26)28-23(19)25)18-10-12-20(21(13-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,10,12-14H,1-5H3,(H4,25,26,27,28)
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PubMed
n/an/a 3.37E+3n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM25825
PNG
(5-(3-{4-[2,6-bis(propan-2-yl)phenyl]-3-methoxyphen...)
Show SMILES COc1cc(ccc1-c1c(cccc1C(C)C)C(C)C)C(C)C#Cc1c(C)nc(N)nc1N |(.48,.72,;1.82,1.49,;1.82,3.03,;.49,3.8,;.49,5.34,;1.82,6.11,;3.15,5.34,;3.15,3.8,;4.49,3.03,;5.82,3.8,;7.15,3.03,;7.15,1.49,;5.82,.72,;4.49,1.49,;3.4,.4,;3.4,-1.14,;1.86,.4,;5.82,5.34,;7.15,6.11,;4.49,6.11,;-.85,6.11,;-.85,7.65,;-2.18,5.34,;-3.52,4.57,;-4.85,3.8,;-4.85,2.26,;-3.52,1.49,;-6.18,1.49,;-7.52,2.26,;-8.85,1.49,;-7.52,3.8,;-6.18,4.57,;-6.18,6.11,)|
Show InChI InChI=1S/C28H34N4O/c1-16(2)21-9-8-10-22(17(3)4)26(21)24-14-12-20(15-25(24)33-7)18(5)11-13-23-19(6)31-28(30)32-27(23)29/h8-10,12,14-18H,1-7H3,(H4,29,30,31,32)
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PubMed
n/an/a 4.20E+3n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM25821
PNG
(5-(3-{3-[2,6-bis(propan-2-yl)phenyl]-5-methoxyphen...)
Show SMILES COc1cc(cc(c1)-c1c(cccc1C(C)C)C(C)C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C28H34N4O/c1-16(2)23-9-8-10-24(17(3)4)26(23)21-13-20(14-22(15-21)33-7)18(5)11-12-25-19(6)31-28(30)32-27(25)29/h8-10,13-18H,1-7H3,(H4,29,30,31,32)
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n/an/a 7.20E+3n/an/an/an/a7.025



University of Connecticut at Storrs



Assay Description
Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 val...


J Med Chem 51: 6839-52 (2008)


Article DOI: 10.1021/jm8009124
BindingDB Entry DOI: 10.7270/Q2W37TMC
More data for this
Ligand-Target Pair