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11 similar compounds to monomer 50005520

Compile data set for download or QSAR
Wt: 431.4
BDBM24692
Wt: 446.4
BDBM50005728
Wt: 446.4
BDBM50005729
Wt: 450.4
BDBM50005731
Wt: 462.4
BDBM50005734
Wt: 450.4
BDBM50005735
Wt: 466.8
BDBM50005736
Wt: 417.4
BDBM50005739
Wt: 460.4
BDBM50014843
Wt: 446.4
BDBM50014844
Wt: 431.4
BDBM50422000

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 24692,50005728,50005729,50005731,50005734,50005735,50005736,50005739,50014843,50014844,50422000   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM24692
PNG
(2-({4-[4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5...)
Show SMILES Nc1nc(N)c(CCCCc2ccc(cc2)C(=O)NC(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)
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1.70E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Enzyme activity assays of recombinant hGAR Tfase and recombinant hAICAR Tfase were performed as previously described. Kinetics of the enzyme reaction...


Biochemistry 52: 5133-44 (2013)


Article DOI: 10.1021/bi4005182
BindingDB Entry DOI: 10.7270/Q2K93669
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM24692
PNG
(2-({4-[4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5...)
Show SMILES Nc1nc(N)c(CCCCc2ccc(cc2)C(=O)NC(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)
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1.70E+3 -7.89n/an/an/an/an/a7.526



The Scripps Research Institute



Assay Description
Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor...


J Med Chem 51: 5441-8 (2008)


Article DOI: 10.1021/jm800555h
BindingDB Entry DOI: 10.7270/Q2WD3XVB
More data for this
Ligand-Target Pair
AICAR Tfase


(Homo sapiens (Human))
BDBM24692
PNG
(2-({4-[4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5...)
Show SMILES Nc1nc(N)c(CCCCc2ccc(cc2)C(=O)NC(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)
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2.00E+4 -6.43n/an/an/an/an/a7.426



The Scripps Research Institute



Assay Description
Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance correspo...


J Med Chem 51: 5441-8 (2008)


Article DOI: 10.1021/jm800555h
BindingDB Entry DOI: 10.7270/Q2WD3XVB
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM24692
PNG
(2-({4-[4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5...)
Show SMILES Nc1nc(N)c(CCCCc2ccc(cc2)C(=O)NC(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)
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2.00E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Enzyme activity assays of recombinant hGAR Tfase and recombinant hAICAR Tfase were performed as previously described. Kinetics of the enzyme reaction...


Biochemistry 52: 5133-44 (2013)


Article DOI: 10.1021/bi4005182
BindingDB Entry DOI: 10.7270/Q2K93669
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
Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against L cell


J Med Chem 33: 561-7 (1990)


Article DOI: 10.1021/jm00164a014
BindingDB Entry DOI: 10.7270/Q2XW4HS0
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


J Med Chem 35: 1399-410 (1992)


Article DOI: 10.1021/jm00086a008
BindingDB Entry DOI: 10.7270/Q20R9NBZ
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


J Med Chem 35: 1399-410 (1992)


Article DOI: 10.1021/jm00086a008
BindingDB Entry DOI: 10.7270/Q20R9NBZ
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)


Article DOI: 10.1021/jm00164a014
BindingDB Entry DOI: 10.7270/Q2XW4HS0
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)


Article DOI: 10.1021/jm00164a014
BindingDB Entry DOI: 10.7270/Q2XW4HS0
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
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 4.30E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against Glycinamide ribonucleotide transformylase(GAR-TFase) from L cell


J Med Chem 33: 561-7 (1990)


Article DOI: 10.1021/jm00164a014
BindingDB Entry DOI: 10.7270/Q2XW4HS0
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
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 7.60E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against Glycinamide ribonucleotide transformylase(GAR-TFase) against L cell


J Med Chem 33: 561-7 (1990)


Article DOI: 10.1021/jm00164a014
BindingDB Entry DOI: 10.7270/Q2XW4HS0
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


J Med Chem 35: 1399-410 (1992)


Article DOI: 10.1021/jm00086a008
BindingDB Entry DOI: 10.7270/Q20R9NBZ
More data for this
Ligand-Target Pair
Thymidylate synthase/GAR transformylase/AICAR transformylase


(Homo sapiens (Human))
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 1.80E+4n/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)


Article DOI: 10.1021/jm00164a014
BindingDB Entry DOI: 10.7270/Q2XW4HS0
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


J Med Chem 35: 1399-410 (1992)


Article DOI: 10.1021/jm00086a008
BindingDB Entry DOI: 10.7270/Q20R9NBZ
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


J Med Chem 35: 1399-410 (1992)


Article DOI: 10.1021/jm00086a008
BindingDB Entry DOI: 10.7270/Q20R9NBZ
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


J Med Chem 35: 1399-410 (1992)


Article DOI: 10.1021/jm00086a008
BindingDB Entry DOI: 10.7270/Q20R9NBZ
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


J Med Chem 35: 1399-410 (1992)


Article DOI: 10.1021/jm00086a008
BindingDB Entry DOI: 10.7270/Q20R9NBZ
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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UniChem

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PubMed
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


J Med Chem 35: 1399-410 (1992)


Article DOI: 10.1021/jm00086a008
BindingDB Entry DOI: 10.7270/Q20R9NBZ
More data for this
Ligand-Target Pair