BDBM50100477 Acetic acid 5-(4-hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-1-ylmethyl)-amino]-9H-purin-3-ylmethyl}-tetrahydro-furan-3-ylcarbamoyl)-2-methoxy-phenyl ester::CHEMBL411945

SMILES: COc1ccc(cc1OC(C)=O)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12

InChI Key: InChIKey=QVZKJJHQQKNKBS-VLVHCFGSSA-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 = 50100477   

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)	BDBM50100477 (Acetic acid 5-(4-hydroxy-5-hydroxymethyl-2-{6-[(na...) Show SMILES COc1ccc(cc1OC(C)=O)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C31H30N6O7/c1-17(39)43-23-12-19(10-11-22(23)42-2)30(41)36-25-27(40)24(14-38)44-31(25)37-16-35-26-28(33-15-34-29(26)37)32-13-20-8-5-7-18-6-3-4-9-21(18)20/h3-12,15-16,24-25,27,31,38,40H,13-14H2,1-2H3,(H,36,41)(H,32,33,34)/t24-,25-,27-,31-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80E+4	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