BDBM50100498 CHEMBL66195::N-{4-Hydroxy-5-hydroxymethyl-2-[6-(1,2,3,4-tetrahydro-naphthalen-1-ylamino)-purin-9-ylmethyl]-tetrahydro-furan-3-yl}-3,5-dimethoxy-benzamide

SMILES: COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NC4CCCc5ccccc45)ncnc23)OC(CO)[C@@H]1O

InChI Key: InChIKey=SUKKKEFAMPNTFZ-YLAQNYHASA-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 = 50100498   

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)	BDBM50100498 (CHEMBL66195 | N-{4-Hydroxy-5-hydroxymethyl-2-[6-(1...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NC4CCCc5ccccc45)ncnc23)OC(CO)[C@@H]1O Show InChI InChI=1S/C30H34N6O6/c1-40-19-10-18(11-20(12-19)41-2)30(39)35-25-23(42-24(14-37)27(25)38)13-36-16-33-26-28(31-15-32-29(26)36)34-22-9-5-7-17-6-3-4-8-21(17)22/h3-4,6,8,10-12,15-16,22-25,27,37-38H,5,7,9,13-14H2,1-2H3,(H,35,39)(H,31,32,34)/t22?,23?,24?,25-,27+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+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