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Articleid 50029066

Compile data set for download or QSAR
Found 6 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)		BDBM22590
PNG
((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
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 120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of trifunctional Glycinamide ribonucleotide formyltransferase isolated from murine L1210 cells.

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


(Homo sapiens (Human))		BDBM22590
PNG
((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
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 130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of recombinant human monofunctional Glycinamide ribonucleotide formyltransferase

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)		BDBM50281128
PNG
((S)-2-{4-[2-(4-Oxo-3,4,5,6,7,8-hexahydro-pyrido[2,...)
Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(CCC2CNc3nc[nH]c(=O)c3C2)cc1)C(O)=O
Show InChI InChI=1S/C21H24N4O6/c26-17(27)8-7-16(21(30)31)25-19(28)14-5-3-12(4-6-14)1-2-13-9-15-18(22-10-13)23-11-24-20(15)29/h3-6,11,13,16H,1-2,7-10H2,(H,25,28)(H,26,27)(H,30,31)(H2,22,23,24,29)
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 2.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of trifunctional Glycinamide ribonucleotide formyltransferase isolated from murine L1210 cells.

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


(Homo sapiens (Human))		BDBM50281128
PNG
((S)-2-{4-[2-(4-Oxo-3,4,5,6,7,8-hexahydro-pyrido[2,...)
Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(CCC2CNc3nc[nH]c(=O)c3C2)cc1)C(O)=O
Show InChI InChI=1S/C21H24N4O6/c26-17(27)8-7-16(21(30)31)25-19(28)14-5-3-12(4-6-14)1-2-13-9-15-18(22-10-13)23-11-24-20(15)29/h3-6,11,13,16H,1-2,7-10H2,(H,25,28)(H,26,27)(H,30,31)(H2,22,23,24,29)
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 8.21E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of recombinant human monofunctional Glycinamide ribonucleotide formyltransferase

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


(Homo sapiens (Human))		BDBM50281129
PNG
((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)
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 1.86E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of recombinant human monofunctional Glycinamide ribonucleotide formyltransferase

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)		BDBM50281129
PNG
((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)
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n/an/a 65n/an/an/an/an/an/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
* indicates data uncertainty>20%