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Compile Data Set for Download or QSAR

Found 9 hits of ki for UniProtKB: P04406   
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
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50366560
PNG
(CHEMBL607760)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-c1ncnc2n(-[#6]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-3-[#8])c(nc12)-c1cccs1 |r|
Show InChI InChI=1S/C19H23N5O4S/c1-10(2)5-6-20-16-13-18(22-9-21-16)24(17(23-13)12-4-3-7-29-12)19-15(27)14(26)11(8-25)28-19/h3-5,7,9,11,14-15,19,25-27H,6,8H2,1-2H3,(H,20,21,22)/t11-,14-,15-,19?/m1/s1
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9.00E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)


Bioorg Med Chem Lett 8: 3505-10 (1999)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50366560
PNG
(CHEMBL607760)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-c1ncnc2n(-[#6]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-3-[#8])c(nc12)-c1cccs1 |r|
Show InChI InChI=1S/C19H23N5O4S/c1-10(2)5-6-20-16-13-18(22-9-21-16)24(17(23-13)12-4-3-7-29-12)19-15(27)14(26)11(8-25)28-19/h3-5,7,9,11,14-15,19,25-27H,6,8H2,1-2H3,(H,20,21,22)/t11-,14-,15-,19?/m1/s1
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1.80E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)


Bioorg Med Chem Lett 8: 3505-10 (1999)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50030949
PNG
((2R,3R,4S,5R)-2-(6-Amino-8-thiophen-2-yl-purin-9-y...)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1cccs1
Show InChI InChI=1S/C14H15N5O4S/c15-11-8-13(17-5-16-11)19(12(18-8)7-2-1-3-24-7)14-10(22)9(21)6(4-20)23-14/h1-3,5-6,9-10,14,20-22H,4H2,(H2,15,16,17)/t6-,9-,10-,14-/m1/s1
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3.00E+5n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)


Bioorg Med Chem Lett 8: 3505-10 (1999)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50366561
PNG
(CHEMBL610692)
Show SMILES NC(=O)c1ccccc1C(=O)NC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C25H25N7O5/c26-21(35)15-8-4-5-9-16(15)24(36)28-11-17-19(33)20(34)25(37-17)32-13-31-18-22(29-12-30-23(18)32)27-10-14-6-2-1-3-7-14/h1-9,12-13,17,19-20,25,33-34H,10-11H2,(H2,26,35)(H,28,36)(H,27,29,30)/t17-,19-,20-,25?/m1/s1
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8.00E+5n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)


Bioorg Med Chem Lett 8: 3505-10 (1999)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50366559
PNG
(CHEMBL608637)
Show SMILES CC(C)Nc1nc2c(N)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H20N6O4/c1-5(2)17-13-18-7-10(14)15-4-16-11(7)19(13)12-9(22)8(21)6(3-20)23-12/h4-6,8-9,12,20-22H,3H2,1-2H3,(H,17,18)(H2,14,15,16)/t6-,8-,9-,12?/m1/s1
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1.50E+6n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)


Bioorg Med Chem Lett 8: 3505-10 (1999)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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2.50E+6n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)


Bioorg Med Chem Lett 8: 3505-10 (1999)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50241166
PNG
((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
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PubMed
2.80E+6n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)


Bioorg Med Chem Lett 8: 3505-10 (1999)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50366563
PNG
(CHEMBL610982)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H18N6O4/c18-14-11-15(21-7-20-14)23(8-22-11)17-13(25)12(24)10(27-17)6-19-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,24-25H,6H2,(H,19,26)(H2,18,20,21)/t10-,12-,13-,17?/m1/s1
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3.30E+6n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)


Bioorg Med Chem Lett 8: 3505-10 (1999)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50366562
PNG
(CHEMBL611570)
Show SMILES O[C@@H]1[C@@H](CN2C(=O)c3ccccc3C2=O)OC([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C25H22N6O5/c32-19-17(11-30-23(34)15-8-4-5-9-16(15)24(30)35)36-25(20(19)33)31-13-29-18-21(27-12-28-22(18)31)26-10-14-6-2-1-3-7-14/h1-9,12-13,17,19-20,25,32-33H,10-11H2,(H,26,27,28)/t17-,19-,20-,25?/m1/s1
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4.00E+6n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)


Bioorg Med Chem Lett 8: 3505-10 (1999)

More data for this
Ligand-Target Pair