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BDBM50030949 (2R,3R,4S,5R)-2-(6-Amino-8-thiophen-2-yl-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL124807

SMILES: Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)-c1cccs1

InChI Key: InChIKey=LMNBPJQPSDYDKY-GUSNPEKLSA-N

Data: 1 KI  6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50030949   
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


(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)


BindingDB Entry DOI: 10.7270/Q26Q1XR4
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(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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n/an/a 500n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Leishmania mexicana


J Med Chem 37: 3605-13 (1994)


BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(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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n/an/a 5.00E+5n/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
TInhibition of glyceraldehyde-3-phosphate dehydrogenase in Leishmania mexicana


J Med Chem 38: 3838-49 (1995)


BindingDB Entry DOI: 10.7270/Q2HT2PZ4
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(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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n/an/a 600n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyd 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei


J Med Chem 37: 3605-13 (1994)


BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(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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n/an/a 6.00E+5n/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Inhibition of glyceraldehyde-3-phosphate dehydrogenase in Trypanosoma brucei


J Med Chem 38: 3838-49 (1995)


BindingDB Entry DOI: 10.7270/Q2HT2PZ4
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(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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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte


J Med Chem 37: 3605-13 (1994)


BindingDB Entry DOI: 10.7270/Q26W9BQD
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(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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PubMed
n/an/a 1.30E+6n/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Inhibition of Glyceraldehyde-3-phosphate dehydrogenase in human erythrocytes.


J Med Chem 38: 3838-49 (1995)


BindingDB Entry DOI: 10.7270/Q2HT2PZ4
More data for this
Ligand-Target Pair