BDBM50037777 CHEMBL120653::N-[2-(6-Amino-purin-9-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl]-benzamide

SMILES: Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccccc1

InChI Key: InChIKey=OOYDHLDSPITQES-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50037777   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human))	BDBM50037777 (CHEMBL120653 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccccc1 Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-11(13(25)10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 liver (Homo sapiens (Human))	BDBM50037777 (CHEMBL120653 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccccc1 Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-11(13(25)10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/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 liver (Homo sapiens (Human))	BDBM50037777 (CHEMBL120653 | N-[2-(6-Amino-purin-9-yl)-4-hydroxy...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1NC(=O)c1ccccc1 Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-11(13(25)10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Tested for the inhibitory activity against Glycosomal glyceraldehyde 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