Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Purine nucleoside phosphorylase' and Ligand = 'BDBM50200328'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Purine nucleoside phosphorylase (Toxoplasma gondii)	BDBM50200328 ((4S,8R,9aS)-4-benzyl-8-(benzyloxy)-hexahydro-1H-py...) Show SMILES O=C1N[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)N1)OCc1ccccc1 Show InChI InChI=1S/C21H23N3O3/c25-20-18(11-15-7-3-1-4-8-15)22-21(26)23-19-12-17(13-24(19)20)27-14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H2,22,23,26)/t17-,18+,19+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UMR 7175 Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii purine nucleoside phosphorylase				J Med Chem 49: 6768-78 (2006) Article DOI: 10.1021/jm0606589 BindingDB Entry DOI: 10.7270/Q2WH2PND
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