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PubMed code 3599031

Compile data set for download or QSAR
Found 12 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


(Mus musculus)		BDBM50024464
PNG
(2-{4-[Acetyl-(2-amino-4-oxo-3,4-dihydro-quinazolin...)
Show SMILES CC(=O)N(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C23H23N5O7/c1-12(29)28(11-13-2-7-17-16(10-13)21(33)27-23(24)26-17)15-5-3-14(4-6-15)20(32)25-18(22(34)35)8-9-19(30)31/h2-7,10,18H,8-9,11H2,1H3,(H,25,32)(H,30,31)(H,34,35)(H3,24,26,27,33)
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 1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)		BDBM50006906
PNG
(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-am...)
Show SMILES Nc1nc2ccc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C21H21N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)
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 2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)		BDBM50024465
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...)
Show SMILES Nc1nc2ccc(CN(CC(=O)c3ccccc3)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C29H27N5O7/c30-29-32-22-11-6-17(14-21(22)27(39)33-29)15-34(16-24(35)18-4-2-1-3-5-18)20-9-7-19(8-10-20)26(38)31-23(28(40)41)12-13-25(36)37/h1-11,14,23H,12-13,15-16H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)
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 3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)		BDBM50024468
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...)
Show SMILES Nc1nc2ccc(CN(CC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C23H23N5O8/c24-23-26-16-6-1-12(9-15(16)21(34)27-23)10-28(11-19(31)32)14-4-2-13(3-5-14)20(33)25-17(22(35)36)7-8-18(29)30/h1-6,9,17H,7-8,10-11H2,(H,25,33)(H,29,30)(H,31,32)(H,35,36)(H3,24,26,27,34)
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 5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)		BDBM50008294
PNG
(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)
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 6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)		BDBM50024466
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...)
Show SMILES Nc1nc2ccc(CN(Cc3c[nH]c(=O)[nH]c3=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C26H25N7O8/c27-25-30-18-6-1-13(9-17(18)23(38)31-25)11-33(12-15-10-28-26(41)32-22(15)37)16-4-2-14(3-5-16)21(36)29-19(24(39)40)7-8-20(34)35/h1-6,9-10,19H,7-8,11-12H2,(H,29,36)(H,34,35)(H,39,40)(H3,27,30,31,38)(H2,28,32,37,41)
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 7.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)		BDBM50024467
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...)
Show SMILES Nc1nc2ccc(CN(CC3CC3)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C25H27N5O6/c26-25-28-19-8-3-15(11-18(19)23(34)29-25)13-30(12-14-1-2-14)17-6-4-16(5-7-17)22(33)27-20(24(35)36)9-10-21(31)32/h3-8,11,14,20H,1-2,9-10,12-13H2,(H,27,33)(H,31,32)(H,35,36)(H3,26,28,29,34)
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 8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)		BDBM50024462
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...)
Show SMILES Nc1nc2ccc(CN(CCCC#N)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C25H26N6O6/c26-11-1-2-12-31(14-15-3-8-19-18(13-15)23(35)30-25(27)29-19)17-6-4-16(5-7-17)22(34)28-20(24(36)37)9-10-21(32)33/h3-8,13,20H,1-2,9-10,12,14H2,(H,28,34)(H,32,33)(H,36,37)(H3,27,29,30,35)
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 1.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)		BDBM50017876
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...)
Show SMILES CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C23H25N5O6/c1-2-28(12-13-3-8-17-16(11-13)21(32)27-23(24)26-17)15-6-4-14(5-7-15)20(31)25-18(22(33)34)9-10-19(29)30/h3-8,11,18H,2,9-10,12H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H3,24,26,27,32)
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 1.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from the murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)		BDBM50024461
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...)
Show SMILES Nc1nc2ccc(CN(Cc3cccc(F)c3)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C28H26FN5O6/c29-19-3-1-2-16(12-19)14-34(15-17-4-9-22-21(13-17)26(38)33-28(30)32-22)20-7-5-18(6-8-20)25(37)31-23(27(39)40)10-11-24(35)36/h1-9,12-13,23H,10-11,14-15H2,(H,31,37)(H,35,36)(H,39,40)(H3,30,32,33,38)
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 1.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)		BDBM50024463
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...)
Show SMILES CC(C)N(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C24H27N5O6/c1-13(2)29(12-14-3-8-18-17(11-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)
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 1.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3


(Mus musculus)		BDBM50024469
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...)
Show SMILES Nc1nc2ccc(CN(CCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C24H25N5O8/c25-24-27-17-6-1-13(11-16(17)22(35)28-24)12-29(10-9-20(32)33)15-4-2-14(3-5-15)21(34)26-18(23(36)37)7-8-19(30)31/h1-6,11,18H,7-10,12H2,(H,26,34)(H,30,31)(H,32,33)(H,36,37)(H3,25,27,28,35)
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 3.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y

J Med Chem 30: 1254-6 (1987)


BindingDB Entry DOI: 10.7270/Q2VX0FHS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%