BDBM50100504 Acetic acid 4-(4-hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-1-ylmethyl)-amino]-9H-purin-3-ylmethyl}-tetrahydro-furan-3-ylcarbamoyl)-phenyl ester::CHEMBL65272

SMILES: CC(=O)Oc1ccc(cc1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12

InChI Key: InChIKey=JKYCSULEMBGUBG-JVUUKAHWSA-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 = 50100504   

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 cytosolic (Leishmania mexicana)	BDBM50100504 (Acetic acid 4-(4-hydroxy-5-hydroxymethyl-2-{6-[(na...) Show SMILES CC(=O)Oc1ccc(cc1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C30H28N6O6/c1-17(38)41-21-11-9-19(10-12-21)29(40)35-24-26(39)23(14-37)42-30(24)36-16-34-25-27(32-15-33-28(25)36)31-13-20-7-4-6-18-5-2-3-8-22(18)20/h2-12,15-16,23-24,26,30,37,39H,13-14H2,1H3,(H,35,40)(H,31,32,33)/t23-,24-,26-,30-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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