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PubMed code 2498518

Compile data set for download or QSAR
Found 10 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
Trifunctional purine biosynthetic protein adenosine-3


(Homo sapiens (Human))		BDBM50016658
PNG
(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)
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n/an/a 0n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of the GAR transformylase in lactobacillus casei

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


(Homo sapiens (Human))		BDBM50016660
PNG
(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
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n/an/a 0.00100n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of the GAR transformylase in lactobacillus casei

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


(Homo sapiens (Human))		BDBM50016659
PNG
(2-{4-[3-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pteri...)
Show SMILES CC(CC1CNc2nc(N)[nH]c(=O)c2N1)Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H28N6O6/c1-11(9-14-10-24-18-17(25-14)20(32)28-22(23)27-18)8-12-2-4-13(5-3-12)19(31)26-15(21(33)34)6-7-16(29)30/h2-5,11,14-15,25H,6-10H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,23,24,27,28,32)
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n/an/a 0.00100n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of the GAR transformylase in lactobacillus casei

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


(Homo sapiens (Human))		BDBM50016662
PNG
(2-{4-[3-(2-Amino-4-oxo-3,4,7,8-tetrahydro-pteridin...)
Show SMILES CC(CC1=Nc2c(NC1)nc(N)[nH]c2=O)Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:3|
Show InChI InChI=1S/C22H26N6O6/c1-11(9-14-10-24-18-17(25-14)20(32)28-22(23)27-18)8-12-2-4-13(5-3-12)19(31)26-15(21(33)34)6-7-16(29)30/h2-5,11,15H,6-10H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,23,24,27,28,32)
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n/an/a 0.00100n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of the GAR transformylase in lactobacillus casei

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


(Homo sapiens (Human))		BDBM50016658
PNG
(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)
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n/an/a 0.0140n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of the GAR transformylase in MOLT-4 human leukemia cells

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)		BDBM50016658
PNG
(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)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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n/an/a 0.0180n/an/an/an/an/an/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
PNG
(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
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n/an/a>0.0200n/an/an/an/an/an/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


(Homo sapiens (Human))		BDBM50016661
PNG
(2-{4-[3-(2-Amino-4-oxo-3,4-dihydro-pteridin-6-yl)-...)
Show SMILES CC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)Cc1cnc2nc(N)[nH]c(=O)c2n1
Show InChI InChI=1S/C22H24N6O6/c1-11(9-14-10-24-18-17(25-14)20(32)28-22(23)27-18)8-12-2-4-13(5-3-12)19(31)26-15(21(33)34)6-7-16(29)30/h2-5,10-11,15H,6-9H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H3,23,24,27,28,32)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of the GAR formyl transferase in lactobacillus casei

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)		BDBM50016657
PNG
(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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KEGG

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



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


(Homo sapiens (Human))		BDBM50016657
PNG
(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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n/an/a>2.50E+4n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of the GAR formyl transferase in lactobacillus casei

J Med Chem 32: 1277-83 (1989)


BindingDB Entry DOI: 10.7270/Q20K27J9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%