BDBM50100485 CHEMBL66305::N-{4-Hydroxy-5-hydroxymethyl-2-[6-(3-methyl-benzylamino)-purin-9-ylmethyl]-tetrahydro-furan-3-yl}-3,5-dimethoxy-benzamide

SMILES: COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4cccc(C)c4)ncnc23)OC(CO)[C@@H]1O

InChI Key: InChIKey=ROLCITGNHINHPT-WZCQUIKNSA-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 = 50100485   

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)	BDBM50100485 (CHEMBL66305 | N-{4-Hydroxy-5-hydroxymethyl-2-[6-(3...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4cccc(C)c4)ncnc23)OC(CO)[C@@H]1O Show InChI InChI=1S/C28H32N6O6/c1-16-5-4-6-17(7-16)11-29-26-24-27(31-14-30-26)34(15-32-24)12-21-23(25(36)22(13-35)40-21)33-28(37)18-8-19(38-2)10-20(9-18)39-3/h4-10,14-15,21-23,25,35-36H,11-13H2,1-3H3,(H,33,37)(H,29,30,31)/t21?,22?,23-,25+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+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