Found 39 hits of ic50 for UniProtKB: Q64737 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50016658
(2-{4-[3-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pteri...)Show SMILES Nc1nc2NCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C21H26N6O6/c22-21-26-17-16(19(31)27-21)24-13(10-23-17)3-1-2-11-4-6-12(7-5-11)18(30)25-14(20(32)33)8-9-15(28)29/h4-7,13-14,24H,1-3,8-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,22,23,26,27,31) | PDB
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| n/a | n/a | 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Alabama
Curated by ChEMBL
| Assay Description
Inhibition of the GAR transformylase in L1210 |
J Med Chem 32: 1277-83 (1989)
BindingDB Entry DOI: 10.7270/Q20K27J9 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50016660
(2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pteri...)Show SMILES Nc1nc2NC[C@H](CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Show InChI InChI=1S/C20H25N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h1-4,12-13,22,24H,5-9H2,(H,25,30)(H,28,29)(H,32,33)(H4,21,23,26,27,31)/t12-,13?/m0/s1 | PDB
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| n/a | n/a | >0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Alabama
Curated by ChEMBL
| Assay Description
Inhibition of the GAR transformylase in L1210 |
J Med Chem 32: 1277-83 (1989)
BindingDB Entry DOI: 10.7270/Q20K27J9 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50022739
((6RS) 2-{4-[2-(2-Amino-5-ethyl-4-oxo-3,4,5,6,7,8-h...)Show SMILES CCC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C23H29N5O6/c1-2-15-14(11-25-19-18(15)21(32)28-23(24)27-19)8-5-12-3-6-13(7-4-12)20(31)26-16(22(33)34)9-10-17(29)30/h3-4,6-7,14-16H,2,5,8-11H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GAR transformylase from Lactobacillus casei |
J Med Chem 31: 2164-9 (1988)
BindingDB Entry DOI: 10.7270/Q25H7F8Z |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50306576
((S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...)Show SMILES Nc1nc2[nH]c(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)9-10(22-16)3-1-2-4-11-5-7-14(32-11)18(29)23-13(19(30)31)6-8-15(26)27/h5,7,9,13H,1-4,6,8H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFtase assessed as FGAR formation by spectrophotometry |
J Med Chem 53: 1306-18 (2010)
Article DOI: 10.1021/jm9015729
BindingDB Entry DOI: 10.7270/Q23N24B0 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50281129
((S)-2-{4-[2-(2-Amino-5,6,7,8-tetrahydro-pyrido[2,3...)Show SMILES Nc1ncc2CC(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2n1 Show InChI InChI=1S/C21H25N5O5/c22-21-24-11-15-9-13(10-23-18(15)26-21)2-1-12-3-5-14(6-4-12)19(29)25-16(20(30)31)7-8-17(27)28/h3-6,11,13,16H,1-2,7-10H2,(H,25,29)(H,27,28)(H,30,31)(H3,22,23,24,26) | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the inhibition against the human dihydrofolate reductase |
Bioorg Med Chem Lett 3: 2657-2660 (1993)
Article DOI: 10.1016/S0960-894X(01)80736-8
BindingDB Entry DOI: 10.7270/Q2R49QPW |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50171511
((S)-2-(4-(4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[...)Show SMILES Nc1nc2[nH]c(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C22H25N5O6/c23-22-26-18-15(20(31)27-22)11-14(24-18)4-2-1-3-12-5-7-13(8-6-12)19(30)25-16(21(32)33)9-10-17(28)29/h5-8,11,16H,1-4,9-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t16-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 51: 5052-63 (2008)
Article DOI: 10.1021/jm8003366
BindingDB Entry DOI: 10.7270/Q24F1RNB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50022739
((6RS) 2-{4-[2-(2-Amino-5-ethyl-4-oxo-3,4,5,6,7,8-h...)Show SMILES CCC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C23H29N5O6/c1-2-15-14(11-25-19-18(15)21(32)28-23(24)27-19)8-5-12-3-6-13(7-4-12)20(31)26-16(22(33)34)9-10-17(29)30/h3-4,6-7,14-16H,2,5,8-11H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32) | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GAR transformylase from mammalian Manca |
J Med Chem 31: 2164-9 (1988)
BindingDB Entry DOI: 10.7270/Q25H7F8Z |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50022739
((6RS) 2-{4-[2-(2-Amino-5-ethyl-4-oxo-3,4,5,6,7,8-h...)Show SMILES CCC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C23H29N5O6/c1-2-15-14(11-25-19-18(15)21(32)28-23(24)27-19)8-5-12-3-6-13(7-4-12)20(31)26-16(22(33)34)9-10-17(29)30/h3-4,6-7,14-16H,2,5,8-11H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32) | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GAR transformylase from mammalian L1210 cells |
J Med Chem 31: 2164-9 (1988)
BindingDB Entry DOI: 10.7270/Q25H7F8Z |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50022741
((5RS, 6RS) 2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4,5,6...)Show SMILES CC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C22H27N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,11,14-15H,4,7-10H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31) | PDB
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| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GAR transformylase from mammalian Manca |
J Med Chem 31: 2164-9 (1988)
BindingDB Entry DOI: 10.7270/Q25H7F8Z |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50005518
((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...)Show SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 |r| 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)/t12?,15-/m0/s1 | PDB
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| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 51: 5052-63 (2008)
Article DOI: 10.1021/jm8003366
BindingDB Entry DOI: 10.7270/Q24F1RNB |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50005518
((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...)Show SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 |r| 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)/t12?,15-/m0/s1 | PDB
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| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFtase assessed as FGAR formation by spectrophotometry |
J Med Chem 53: 1306-18 (2010)
Article DOI: 10.1021/jm9015729
BindingDB Entry DOI: 10.7270/Q23N24B0 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM22590
((2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8...)Show SMILES Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](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)/t12-,15+/m1/s1 | PDB
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| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 52: 2940-51 (2009)
Article DOI: 10.1021/jm8011323
BindingDB Entry DOI: 10.7270/Q2NG4QH8 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50272272
(CHEMBL502528 | N-{4-[5-(2-Amino-4-oxo-4,7-dihydro-...)Show SMILES Nc1nc2[nH]c(CCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C23H27N5O6/c24-23-27-19-16(21(32)28-23)12-15(25-19)5-3-1-2-4-13-6-8-14(9-7-13)20(31)26-17(22(33)34)10-11-18(29)30/h6-9,12,17H,1-5,10-11H2,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)/t17-/m0/s1 | PDB
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| n/a | n/a | 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 51: 5052-63 (2008)
Article DOI: 10.1021/jm8003366
BindingDB Entry DOI: 10.7270/Q24F1RNB |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50171513
((S)-2-(4-(3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[...)Show SMILES Nc1nc2[nH]c(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H23N5O6/c22-21-25-17-14(19(30)26-21)10-13(23-17)3-1-2-11-4-6-12(7-5-11)18(29)24-15(20(31)32)8-9-16(27)28/h4-7,10,15H,1-3,8-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t15-/m0/s1 | PDB
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| n/a | n/a | 2.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 51: 5052-63 (2008)
Article DOI: 10.1021/jm8003366
BindingDB Entry DOI: 10.7270/Q24F1RNB |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50272273
(CHEMBL526928 | N-{4-[6-(2-Amino-4-oxo-4,7-dihydro-...)Show SMILES Nc1nc2[nH]c(CCCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C24H29N5O6/c25-24-28-20-17(22(33)29-24)13-16(26-20)6-4-2-1-3-5-14-7-9-15(10-8-14)21(32)27-18(23(34)35)11-12-19(30)31/h7-10,13,18H,1-6,11-12H2,(H,27,32)(H,30,31)(H,34,35)(H4,25,26,28,29,33)/t18-/m0/s1 | PDB
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| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 51: 5052-63 (2008)
Article DOI: 10.1021/jm8003366
BindingDB Entry DOI: 10.7270/Q24F1RNB |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50306577
((S)-2-({5-[5-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...)Show SMILES Nc1nc2[nH]c(CCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H25N5O6S/c22-21-25-17-13(18(29)26-21)10-11(23-17)4-2-1-3-5-12-6-8-15(33-12)19(30)24-14(20(31)32)7-9-16(27)28/h6,8,10,14H,1-5,7,9H2,(H,24,30)(H,27,28)(H,31,32)(H4,22,23,25,26,29)/t14-/m0/s1 | PDB
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| n/a | n/a | 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFtase assessed as FGAR formation by spectrophotometry |
J Med Chem 53: 1306-18 (2010)
Article DOI: 10.1021/jm9015729
BindingDB Entry DOI: 10.7270/Q23N24B0 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50249877
((S)-2-(4-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d...)Show SMILES Nc1nc2sc(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C22H24N4O6S/c23-22-25-19(30)15-11-14(33-20(15)26-22)4-2-1-3-12-5-7-13(8-6-12)18(29)24-16(21(31)32)9-10-17(27)28/h5-8,11,16H,1-4,9-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)/t16-/m0/s1 | PDB
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| n/a | n/a | 5.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 52: 2940-51 (2009)
Article DOI: 10.1021/jm8011323
BindingDB Entry DOI: 10.7270/Q2NG4QH8 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50249876
(CHEMBL490934 | N-{4-[3-(2-Amino-4-oxo-3,4-dihydrot...)Show SMILES Nc1nc2sc(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H22N4O6S/c22-21-24-18(29)14-10-13(32-19(14)25-21)3-1-2-11-4-6-12(7-5-11)17(28)23-15(20(30)31)8-9-16(26)27/h4-7,10,15H,1-3,8-9H2,(H,23,28)(H,26,27)(H,30,31)(H3,22,24,25,29)/t15-/m0/s1 | PDB
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| n/a | n/a | 8.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 52: 2940-51 (2009)
Article DOI: 10.1021/jm8011323
BindingDB Entry DOI: 10.7270/Q2NG4QH8 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50022741
((5RS, 6RS) 2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4,5,6...)Show SMILES CC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C22H27N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,11,14-15H,4,7-10H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31) | PDB
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| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GAR transformylase from Lactobacillus casei |
J Med Chem 31: 2164-9 (1988)
BindingDB Entry DOI: 10.7270/Q25H7F8Z |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50022740
(2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4-dihydro-pyrido...)Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C22H23N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,23,24,26,27,31) | PDB
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Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GAR transformylase from Lactobacillus casei |
J Med Chem 31: 2164-9 (1988)
BindingDB Entry DOI: 10.7270/Q25H7F8Z |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50249954
(CHEMBL491298 | N-{4-[6-(2-Amino-4-oxo-3,4-dihydrot...)Show SMILES Nc1nc2sc(CCCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C24H28N4O6S/c25-24-27-21(32)17-13-16(35-22(17)28-24)6-4-2-1-3-5-14-7-9-15(10-8-14)20(31)26-18(23(33)34)11-12-19(29)30/h7-10,13,18H,1-6,11-12H2,(H,26,31)(H,29,30)(H,33,34)(H3,25,27,28,32)/t18-/m0/s1 | PDB
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Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 52: 2940-51 (2009)
Article DOI: 10.1021/jm8011323
BindingDB Entry DOI: 10.7270/Q2NG4QH8 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
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Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GAR transformylase from mammalian L1210 cells |
J Med Chem 31: 2164-9 (1988)
BindingDB Entry DOI: 10.7270/Q25H7F8Z |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50249953
(CHEMBL491129 | N-{4-[5-(2-Amino-4-oxo-3,4-dihydrot...)Show SMILES Nc1nc2sc(CCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C23H26N4O6S/c24-23-26-20(31)16-12-15(34-21(16)27-23)5-3-1-2-4-13-6-8-14(9-7-13)19(30)25-17(22(32)33)10-11-18(28)29/h6-9,12,17H,1-5,10-11H2,(H,25,30)(H,28,29)(H,32,33)(H3,24,26,27,31)/t17-/m0/s1 | PDB
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Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 52: 2940-51 (2009)
Article DOI: 10.1021/jm8011323
BindingDB Entry DOI: 10.7270/Q2NG4QH8 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GAR transformylase from Lactobacillus casei |
J Med Chem 31: 2164-9 (1988)
BindingDB Entry DOI: 10.7270/Q25H7F8Z |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM18796
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 52: 2940-51 (2009)
Article DOI: 10.1021/jm8011323
BindingDB Entry DOI: 10.7270/Q2NG4QH8 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50272231
((S)-2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,...)Show SMILES Nc1nc2[nH]c(Cc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C19H19N5O6/c20-19-23-15-12(17(28)24-19)8-11(21-15)7-9-1-3-10(4-2-9)16(27)22-13(18(29)30)5-6-14(25)26/h1-4,8,13H,5-7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t13-/m0/s1 | PDB
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Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 51: 5052-63 (2008)
Article DOI: 10.1021/jm8003366
BindingDB Entry DOI: 10.7270/Q24F1RNB |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50022740
(2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4-dihydro-pyrido...)Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C22H23N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,23,24,26,27,31) | PDB
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Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GAR transformylase from mammalian L1210 cells |
J Med Chem 31: 2164-9 (1988)
BindingDB Entry DOI: 10.7270/Q25H7F8Z |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM18796
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 51: 5052-63 (2008)
Article DOI: 10.1021/jm8003366
BindingDB Entry DOI: 10.7270/Q24F1RNB |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50249875
(CHEMBL522455 | N-{4-[2-(2-Amino-4-oxo-3,4-dihydrot...)Show SMILES Nc1nc2sc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H20N4O6S/c21-20-23-17(28)13-9-12(31-18(13)24-20)6-3-10-1-4-11(5-2-10)16(27)22-14(19(29)30)7-8-15(25)26/h1-2,4-5,9,14H,3,6-8H2,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t14-/m0/s1 | PDB
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Wayne State University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFTase |
J Med Chem 52: 2940-51 (2009)
Article DOI: 10.1021/jm8011323
BindingDB Entry DOI: 10.7270/Q2NG4QH8 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50022740
(2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4-dihydro-pyrido...)Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C22H23N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,23,24,26,27,31) | PDB
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Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GAR transformylase from mammalian Manca |
J Med Chem 31: 2164-9 (1988)
BindingDB Entry DOI: 10.7270/Q25H7F8Z |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM18796
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFtase assessed as FGAR formation by spectrophotometry |
J Med Chem 53: 1306-18 (2010)
Article DOI: 10.1021/jm9015729
BindingDB Entry DOI: 10.7270/Q23N24B0 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50016657
(2-{4-[3-(2-Amino-4-oxo-3,4-dihydro-pteridin-6-yl)-...)Show SMILES Nc1nc2ncc(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C21H22N6O6/c22-21-26-17-16(19(31)27-21)24-13(10-23-17)3-1-2-11-4-6-12(7-5-11)18(30)25-14(20(32)33)8-9-15(28)29/h4-7,10,14H,1-3,8-9H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,23,26,27,31) | PDB
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University of South Alabama
Curated by ChEMBL
| Assay Description
Inhibition of the GAR formyl transferase in L1210 |
J Med Chem 32: 1277-83 (1989)
BindingDB Entry DOI: 10.7270/Q20K27J9 |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50003059
(2-[4-(7-Amino-9-oxo-1,3,3a,4,5,8,9,9b-octahydro-2,...)Show SMILES Nc1nc2NCC3CN(CC3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H24N6O6/c22-21-25-17-16(19(31)26-21)13-9-27(8-11(13)7-23-17)12-3-1-10(2-4-12)18(30)24-14(20(32)33)5-6-15(28)29/h1-4,11,13-14H,5-9H2,(H,24,30)(H,28,29)(H,32,33)(H4,22,23,25,26,31) | PDB
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Duquesne University
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of Glycinamide ribonucleotide formyl transferase (GAR) with formyl (6R) tetrahydrofolate as substrate |
J Med Chem 35: 3678-85 (1992)
BindingDB Entry DOI: 10.7270/Q2RJ4HFH |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50014707
(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) | PDB
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SRI International
Curated by ChEMBL
| Assay Description
Concentration of the compound inhibiting GAR transformylase enzyme of L. casei |
J Med Chem 33: 212-5 (1990)
BindingDB Entry DOI: 10.7270/Q2FX78FR |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50022741
((5RS, 6RS) 2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4,5,6...)Show SMILES CC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C22H27N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,11,14-15H,4,7-10H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31) | PDB
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| CHEMBL
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UniChem
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| n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GAR transformylase from mammalian L1210 cells |
J Med Chem 31: 2164-9 (1988)
BindingDB Entry DOI: 10.7270/Q25H7F8Z |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50003058
(2-[4-(7-Amino-9-oxo-8,9-dihydro-2,5,6,8-tetraaza-c...)Show SMILES Nc1nc(O)c2c3cn(cc3cnc2n1)-c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H18N6O6/c22-21-25-17-16(19(31)26-21)13-9-27(8-11(13)7-23-17)12-3-1-10(2-4-12)18(30)24-14(20(32)33)5-6-15(28)29/h1-4,7-9,14H,5-6H2,(H,24,30)(H,28,29)(H,32,33)(H3,22,25,26,31) | PDB
MMDB
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of Glycinamide ribonucleotide formyl transferase (GAR) with formyl (6R) tetrahydrofolate as substrate |
J Med Chem 35: 3678-85 (1992)
BindingDB Entry DOI: 10.7270/Q2RJ4HFH |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50003057
(7-Amino-1,2,3-trimethyl-2,8-dihydro-2,5,6,8-tetraa...)Show InChI InChI=1S/C12H13N5O/c1-5-7-4-14-10-9(8(7)6(2)17(5)3)11(18)16-12(13)15-10/h4H,1-3H3,(H3,13,15,16,18) | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
GoogleScholar
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UniChem
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| n/a | n/a | >9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of Glycinamide ribonucleotide formyl transferase (GAR) with formyl (6R) tetrahydrofolate as substrate |
J Med Chem 35: 3678-85 (1992)
BindingDB Entry DOI: 10.7270/Q2RJ4HFH |
More data for this
Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50171511
((S)-2-(4-(4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[...)Show SMILES Nc1nc2[nH]c(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C22H25N5O6/c23-22-26-18-15(20(31)27-22)11-14(24-18)4-2-1-3-12-5-7-13(8-6-12)19(30)25-16(21(32)33)9-10-17(28)29/h5-8,11,16H,1-4,9-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t16-/m0/s1 | PDB
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Article
PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFtase assessed as FGAR formation by spectrophotometry |
J Med Chem 53: 1306-18 (2010)
Article DOI: 10.1021/jm9015729
BindingDB Entry DOI: 10.7270/Q23N24B0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50249877
((S)-2-(4-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d...)Show SMILES Nc1nc2sc(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C22H24N4O6S/c23-22-25-19(30)15-11-14(33-20(15)26-22)4-2-1-3-12-5-7-13(8-6-12)18(29)24-16(21(31)32)9-10-17(27)28/h5-8,11,16H,1-4,9-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.51E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant GARFtase assessed as FGAR formation by spectrophotometry |
J Med Chem 53: 1306-18 (2010)
Article DOI: 10.1021/jm9015729
BindingDB Entry DOI: 10.7270/Q23N24B0 |
More data for this
Ligand-Target Pair | |
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