BDBM50144455 CHEMBL71742::N-((2R,5R)-4-Hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-1-ylmethyl)-amino]-purin-9-yl}-tetrahydro-furan-3-yl)-3-methoxy-benzamide

SMILES: COc1cccc(c1)C(=O)NC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12

InChI Key: InChIKey=UMWAFTCCAGNLMN-NLRLUFBBSA-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 = 50144455   

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 (Homo sapiens (Human))	BDBM50144455 (CHEMBL71742 | N-((2R,5R)-4-Hydroxy-5-hydroxymethyl...) Show SMILES COc1cccc(c1)C(=O)NC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C29H28N6O5/c1-39-20-10-5-8-18(12-20)28(38)34-23-25(37)22(14-36)40-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36-37H,13-14H2,1H3,(H,34,38)(H,30,31,32)/t22-,23?,25?,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibitory concentration of compound against glyceraldehyde-3-phosphate dehydrogenase was determined				Bioorg Med Chem Lett 14: 2199-204 (2004) Article DOI: 10.1016/j.bmcl.2004.02.025 BindingDB Entry DOI: 10.7270/Q20K2810
					More data for this Ligand-Target Pair