BDBM50068153 CHEMBL144953::N-{2-[6-(2,3-Dimethyl-benzylamino)-purin-9-yl]-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl}-3-methoxy-benzamide

SMILES: COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3cccc(C)c3C)ncnc12

InChI Key: InChIKey=DHCRXJUAWSNOPW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50068153   

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))	BDBM50068153 (CHEMBL144953 | N-{2-[6-(2,3-Dimethyl-benzylamino)-...) Show SMILES COc1cccc(c1)C(=O)NC1C(O)C(CO)OC1n1cnc2c(NCc3cccc(C)c3C)ncnc12 Show InChI InChI=1S/C27H30N6O5/c1-15-6-4-8-18(16(15)2)11-28-24-22-25(30-13-29-24)33(14-31-22)27-21(23(35)20(12-34)38-27)32-26(36)17-7-5-9-19(10-17)37-3/h4-10,13-14,20-21,23,27,34-35H,11-12H2,1-3H3,(H,32,36)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibitory activity measured for Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in Leishmania. mexicana				J Med Chem 41: 4790-9 (1998) Article DOI: 10.1021/jm9802620 BindingDB Entry DOI: 10.7270/Q2Q240ZW
					More data for this Ligand-Target Pair