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PubMed code 1573633

Compile data set for download or QSAR
Found 15 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
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50003896
PNG
((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Show SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)
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n/an/a 220n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50422000
PNG
(DIDEAZAACYCLOTETRAHYDROFOLIC ACID)
Show SMILES Nc1nc(N)c(CCCCc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C20H25N5O6/c21-16-13(18(29)25-20(22)24-16)4-2-1-3-11-5-7-12(8-6-11)17(28)23-14(19(30)31)9-10-15(26)27/h5-8,14H,1-4,9-10H2,(H,23,28)(H,26,27)(H,30,31)(H5,21,22,24,25,29)/t14-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005733
PNG
(2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5...)
Show SMILES Nc1nc(N)c(CCCSc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H23N5O6S/c20-15-12(17(28)24-19(21)23-15)2-1-9-31-11-5-3-10(4-6-11)16(27)22-13(18(29)30)7-8-14(25)26/h3-6,13H,1-2,7-9H2,(H,22,27)(H,25,26)(H,29,30)(H5,20,21,23,24,28)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
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 3.00E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005731
PNG
(2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(C(=O)NC(CCC(O)=O)C(O)=O)c(F)c2)c(=O)[nH]1
Show InChI InChI=1S/C19H23FN6O6/c20-12-8-9(23-7-1-2-11-15(21)25-19(22)26-17(11)30)3-4-10(12)16(29)24-13(18(31)32)5-6-14(27)28/h3-4,8,13,23H,1-2,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H5,21,22,25,26,30)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005735
PNG
(2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2F)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H23FN6O6/c20-11-8-9(16(29)24-13(18(31)32)5-6-14(27)28)3-4-12(11)23-7-1-2-10-15(21)25-19(22)26-17(10)30/h3-4,8,13,23H,1-2,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H5,21,22,25,26,30)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005737
PNG
(2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5...)
Show SMILES Nc1nc(N)c(CCCOc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H23N5O7/c20-15-12(17(28)24-19(21)23-15)2-1-9-31-11-5-3-10(4-6-11)16(27)22-13(18(29)30)7-8-14(25)26/h3-6,13H,1-2,7-9H2,(H,22,27)(H,25,26)(H,29,30)(H5,20,21,23,24,28)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005728
PNG
(2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5...)
Show SMILES Cc1cc(ccc1NCCCc1c(N)nc(N)[nH]c1=O)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H26N6O6/c1-10-9-11(17(29)24-14(19(31)32)6-7-15(27)28)4-5-13(10)23-8-2-3-12-16(21)25-20(22)26-18(12)30/h4-5,9,14,23H,2-3,6-8H2,1H3,(H,24,29)(H,27,28)(H,31,32)(H5,21,22,25,26,30)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005736
PNG
(2-{2-Chloro-4-[3-(2,4-diamino-6-oxo-1,6-dihydro-py...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(C(=O)NC(CCC(O)=O)C(O)=O)c(Cl)c2)c(=O)[nH]1
Show InChI InChI=1S/C19H23ClN6O6/c20-12-8-9(23-7-1-2-11-15(21)25-19(22)26-17(11)30)3-4-10(12)16(29)24-13(18(31)32)5-6-14(27)28/h3-4,8,13,23H,1-2,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H5,21,22,25,26,30)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005729
PNG
(2-{4-[4-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5...)
Show SMILES Nc1nc(N)c(CCCCNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C20H26N6O6/c21-16-13(18(30)26-20(22)25-16)3-1-2-10-23-12-6-4-11(5-7-12)17(29)24-14(19(31)32)8-9-15(27)28/h4-7,14,23H,1-3,8-10H2,(H,24,29)(H,27,28)(H,31,32)(H5,21,22,25,26,30)
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n/an/a 1.82E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005734
PNG
(2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5...)
Show SMILES COc1cc(ccc1NCCCc1c(N)nc(N)[nH]c1=O)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H26N6O7/c1-33-14-9-10(17(29)24-13(19(31)32)6-7-15(27)28)4-5-12(14)23-8-2-3-11-16(21)25-20(22)26-18(11)30/h4-5,9,13,23H,2-3,6-8H2,1H3,(H,24,29)(H,27,28)(H,31,32)(H5,21,22,25,26,30)
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n/an/a 1.87E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005739
PNG
(2-{4-[3-(4-Amino-6-oxo-1,6-dihydro-pyrimidin-5-yl)...)
Show SMILES Nc1nc[nH]c(=O)c1CCCNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H23N5O6/c20-16-13(18(28)23-10-22-16)2-1-9-21-12-5-3-11(4-6-12)17(27)24-14(19(29)30)7-8-15(25)26/h3-6,10,14,21H,1-2,7-9H2,(H,24,27)(H,25,26)(H,29,30)(H3,20,22,23,28)
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n/an/a 5.20E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
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 9.40E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against MOLT-4 T-cell leukemia cell AICAR transformylase


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005738
PNG
(2-{4-[3-(3-Amino-5-oxo-2,5-dihydro-[1,2,4]triazin-...)
Show SMILES Nc1nnc(C2CCN(C2=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H20N6O7/c20-19-22-16(29)14(23-24-19)11-7-8-25(17(11)30)10-3-1-9(2-4-10)15(28)21-12(18(31)32)5-6-13(26)27/h1-4,11-12H,5-8H2,(H,21,28)(H,26,27)(H,31,32)(H3,20,22,24,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50003896
PNG
((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Show SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)
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n/an/a 1.30E+5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against MOLT-4 T-cell leukemia cell AICAR transformylase


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%