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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'cuda' and Initial = 'f'   
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 purine biosynthesis protein ATIC


(Homo sapiens (Human))
BDBM92374
PNG
(RY Analogue, 14)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)N(=O)=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
Show InChI InChI=1S/C19H29N7O5/c1-3-22-17(28)16(11-13-6-8-14(9-7-13)26(30)31)25-18(29)15(24-12(2)27)5-4-10-23-19(20)21/h6-9,15-16H,3-5,10-11H2,1-2H3,(H,22,28)(H,24,27)(H,25,29)(H4,20,21,23)/t15-,16-/m0/s1
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685 -35.2n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC


(Homo sapiens (Human))
BDBM92376
PNG
(RY Analogue, 17)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)N(=O)=O)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
Show InChI InChI=1S/C20H31N7O5/c1-4-23-18(29)17(12-14-7-9-15(10-8-14)27(31)32)26(3)19(30)16(25-13(2)28)6-5-11-24-20(21)22/h7-10,16-17H,4-6,11-12H2,1-3H3,(H,23,29)(H,25,28)(H4,21,22,24)/t16-,17-/m0/s1
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2.50E+3 -32.0n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC


(Homo sapiens (Human))
BDBM92372
PNG
(RY Analogue, 12)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)C#N)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
Show InChI InChI=1S/C20H29N7O3/c1-3-24-18(29)17(11-14-6-8-15(12-21)9-7-14)27-19(30)16(26-13(2)28)5-4-10-25-20(22)23/h6-9,16-17H,3-5,10-11H2,1-2H3,(H,24,29)(H,26,28)(H,27,30)(H4,22,23,25)/t16-,17-/m0/s1
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5.60E+4 -24.3n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC


(Homo sapiens (Human))
BDBM92373
PNG
(RY Analogue, 13)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)-[#5](-[#8])-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
Show InChI InChI=1S/C19H31BN6O5/c1-3-23-17(28)16(11-13-6-8-14(9-7-13)20(30)31)26-18(29)15(25-12(2)27)5-4-10-24-19(21)22/h6-9,15-16,30-31H,3-5,10-11H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)(H4,21,22,24)/t15-,16-/m0/s1
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PubMed
5.90E+4 -24.1n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC


(Homo sapiens (Human))
BDBM92368
PNG
(RY Analogue, 8)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
Show InChI InChI=1S/C19H30N6O4/c1-3-22-17(28)16(11-13-6-8-14(27)9-7-13)25-18(29)15(24-12(2)26)5-4-10-23-19(20)21/h6-9,15-16,27H,3-5,10-11H2,1-2H3,(H,22,28)(H,24,26)(H,25,29)(H4,20,21,23)/t15-,16-/m0/s1
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PubMed
8.40E+4 -23.3n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC


(Homo sapiens (Human))
BDBM92371
PNG
(RY Analogue, 11)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
Show InChI InChI=1S/C20H32N6O4/c1-4-23-18(28)17(12-14-7-9-15(30-3)10-8-14)26-19(29)16(25-13(2)27)6-5-11-24-20(21)22/h7-10,16-17H,4-6,11-12H2,1-3H3,(H,23,28)(H,25,27)(H,26,29)(H4,21,22,24)/t16-,17-/m0/s1
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8.70E+4 -23.2n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC


(Homo sapiens (Human))
BDBM92370
PNG
(RY Analogue, 10)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
Show InChI InChI=1S/C19H29FN6O3/c1-3-23-17(28)16(11-13-6-8-14(20)9-7-13)26-18(29)15(25-12(2)27)5-4-10-24-19(21)22/h6-9,15-16H,3-5,10-11H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)(H4,21,22,24)/t15-,16-/m0/s1
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PubMed
1.35E+5 -22.1n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC


(Homo sapiens (Human))
BDBM92375
PNG
(RY Analogue, 16)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
Show InChI InChI=1S/C20H32N6O4/c1-4-23-18(29)17(12-14-7-9-15(28)10-8-14)26(3)19(30)16(25-13(2)27)6-5-11-24-20(21)22/h7-10,16-17,28H,4-6,11-12H2,1-3H3,(H,23,29)(H,25,27)(H4,21,22,24)/t16-,17-/m0/s1
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1.45E+5 -21.9n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC


(Homo sapiens (Human))
BDBM92369
PNG
(RY Analogue, 9)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
Show InChI InChI=1S/C19H30N6O3/c1-3-22-17(27)16(12-14-8-5-4-6-9-14)25-18(28)15(24-13(2)26)10-7-11-23-19(20)21/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3,(H,22,27)(H,24,26)(H,25,28)(H4,20,21,23)/t15-,16-/m0/s1
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3.39E+5 -19.8n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair