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SMILES: Nc1nc2C(Cc3ccccc3)CNc2c(=O)[nH]1

InChI Key: InChIKey=SRZKQXMAAAAYDI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50046234   

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
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50046234 (2-Amino-7-benzyl-3,4a,5,7a-tetrahydro-pyrrolo[3,2-...) Show SMILES Nc1nc2C(Cc3ccccc3)CNc2c(=O)[nH]1 Show InChI InChI=1S/C13H14N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,9,15H,6-7H2,(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate				J Med Chem 36: 55-69 (1993) BindingDB Entry DOI: 10.7270/Q2B27TCX
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50046234 (2-Amino-7-benzyl-3,4a,5,7a-tetrahydro-pyrrolo[3,2-...) Show SMILES Nc1nc2C(Cc3ccccc3)CNc2c(=O)[nH]1 Show InChI InChI=1S/C13H14N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,9,15H,6-7H2,(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate				J Med Chem 36: 55-69 (1993) BindingDB Entry DOI: 10.7270/Q2B27TCX
					More data for this Ligand-Target Pair