BDBM50100471 CHEMBL303934::N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-1-ylmethyl)-amino]-9H-purin-3-ylmethyl}-tetrahydro-furan-3-yl)-3,5-dimethoxy-benzamide::N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE

SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12

InChI Key InChIKey=OARVXDFNTLYMCJ-JVUUKAHWSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50100471   

TargetGlyceraldehyde-3-phosphate dehydrogenase(Homo sapiens (Human))
University of Washington

Curated by ChEMBL
LigandPNGBDBM50100471(CHEMBL303934 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O6/c1-40-20-10-19(11-21(12-20)41-2)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-18-8-5-7-17-6-3-4-9-22(17)18/h3-12,15-16,23-24,26,30,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
Affinity DataIC50: 7.00E+3nMAssay Description:In vitro inhibition of Trypanosoma brucei GAPDH.More data for this Ligand-Target Pair
TargetGlyceraldehyde-3-phosphate dehydrogenase(Homo sapiens (Human))
University of Washington

Curated by ChEMBL
LigandPNGBDBM50100471(CHEMBL303934 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O6/c1-40-20-10-19(11-21(12-20)41-2)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-18-8-5-7-17-6-3-4-9-22(17)18/h3-12,15-16,23-24,26,30,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:In vitro inhibition of rabbit muscle GAPDH.More data for this Ligand-Target Pair
TargetGlyceraldehyde-3-phosphate dehydrogenase, cytosolic(Leishmania mexicana)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50100471(CHEMBL303934 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O6/c1-40-20-10-19(11-21(12-20)41-2)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-18-8-5-7-17-6-3-4-9-22(17)18/h3-12,15-16,23-24,26,30,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibitory activity against Leishmania mexicana GAPDHMore data for this Ligand-Target Pair
TargetGlyceraldehyde-3-phosphate dehydrogenase(Homo sapiens (Human))
University of Washington

Curated by ChEMBL
LigandPNGBDBM50100471(CHEMBL303934 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C30H30N6O6/c1-40-20-10-19(11-21(12-20)41-2)29(39)35-24-26(38)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-18-8-5-7-17-6-3-4-9-22(17)18/h3-12,15-16,23-24,26,30,37-38H,13-14H2,1-2H3,(H,35,39)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
Affinity DataIC50: 7.00E+3nMAssay Description:In vitro inhibition of Trypanosoma cruzi GAPDH.More data for this Ligand-Target Pair