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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'AICAR transformylase' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
AICAR transformylase


(Mus musculus)
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against L cell


J Med Chem 33: 561-7 (1990)

More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Triglutamyl homologue inhibition activity against AICAR formyltransferase was determined against L cell


J Med Chem 33: 561-7 (1990)

More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50014707
PNG
(2-{4-[2-(2,4-Diamino-pteridin-6-yl)-propyl]-benzoy...)
Show SMILES CC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C21H23N7O5/c1-10(14-9-24-18-16(25-14)17(22)27-21(23)28-18)8-11-2-4-12(5-3-11)19(31)26-13(20(32)33)6-7-15(29)30/h2-5,9-10,13H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)
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n/an/a>5.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting AICAR formyltransferase enzyme of L. casei


J Med Chem 33: 212-5 (1990)

More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50014706
PNG
(2-{4-[2-(2,4-Diamino-pteridin-6-yl)-butyl]-benzoyl...)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C22H25N7O5/c1-2-12(15-10-25-19-17(26-15)18(23)28-22(24)29-19)9-11-3-5-13(6-4-11)20(32)27-14(21(33)34)7-8-16(30)31/h3-6,10,12,14H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting AICAR formyltransferase enzyme of L. casei


J Med Chem 33: 212-5 (1990)

More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50014844
PNG
(2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...)
Show SMILES CN(CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H26N6O6/c1-26(10-2-3-13-16(21)24-20(22)25-18(13)30)12-6-4-11(5-7-12)17(29)23-14(19(31)32)8-9-15(27)28/h4-7,14H,2-3,8-10H2,1H3,(H,23,29)(H,27,28)(H,31,32)(H5,21,22,24,25,30)
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n/an/a 6.80E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against AICAR formyltransferase from hog liver


J Med Chem 33: 561-7 (1990)

More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against AICAR formyltransferase determined against L cell


J Med Chem 33: 561-7 (1990)

More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against AICAR formyltransferase determined against L cell


J Med Chem 33: 561-7 (1990)

More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50014843
PNG
(2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...)
Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)
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n/an/a 2.80E+5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against AICAR formyltransferase determined against L cell


J Med Chem 33: 561-7 (1990)

More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50014843
PNG
(2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...)
Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)
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n/an/a 5.74E+5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against AICAR formyltransferase determined against MOLT-4


J Med Chem 33: 561-7 (1990)

More data for this
Ligand-Target Pair