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BDBM50369051 CHEMBL609489

SMILES: Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=XGWFXIOQTHWBOH-ZOICRDBHSA-N

Data: 4 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 4 hits for monomerid = 50369051   
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))
BDBM50369051
PNG
(CHEMBL609489)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H24N6O4/c25-21-18-22(28-12-27-21)30(13-29-18)24-20(32)19(31)16(34-24)11-26-23(33)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12-13,16-17,19-20,24,31-32H,11H2,(H,26,33)(H2,25,27,28)/t16-,19-,20-,24?/m1/s1
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n/an/a 2.50E+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 cytosolic


(Leishmania mexicana)
BDBM50369051
PNG
(CHEMBL609489)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H24N6O4/c25-21-18-22(28-12-27-21)30(13-29-18)24-20(32)19(31)16(34-24)11-26-23(33)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12-13,16-17,19-20,24,31-32H,11H2,(H,26,33)(H2,25,27,28)/t16-,19-,20-,24?/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania mexicana GAPDH


J Med Chem 44: 2080-93 (2001)


BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50369051
PNG
(CHEMBL609489)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H24N6O4/c25-21-18-22(28-12-27-21)30(13-29-18)24-20(32)19(31)16(34-24)11-26-23(33)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12-13,16-17,19-20,24,31-32H,11H2,(H,26,33)(H2,25,27,28)/t16-,19-,20-,24?/m1/s1
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PubMed
n/an/a 2.50E+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 liver


(Homo sapiens (Human))
BDBM50369051
PNG
(CHEMBL609489)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H24N6O4/c25-21-18-22(28-12-27-21)30(13-29-18)24-20(32)19(31)16(34-24)11-26-23(33)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12-13,16-17,19-20,24,31-32H,11H2,(H,26,33)(H2,25,27,28)/t16-,19-,20-,24?/m1/s1
PDB
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NCI pathway
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.50E+5n/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