BDBM50039547 2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one::2-amino-7-benzyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one::CHEMBL310202

SMILES: Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1

InChI Key: InChIKey=ZBEJFMQAPZKPCM-UHFFFAOYSA-N

Data: 2 KI  7 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 9 hits for monomerid = 50039547   

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 (PNP) (Bos taurus (bovine))	BDBM50039547 (2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...) Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as subst...				J Med Chem 42: 2422-31 (1999) Article DOI: 10.1021/jm990037y BindingDB Entry DOI: 10.7270/Q2CR5SKN
					More data for this Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50039547 (2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...) Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.				J Med Chem 42: 2422-31 (1999) Article DOI: 10.1021/jm990037y BindingDB Entry DOI: 10.7270/Q2CR5SKN
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50039547 (2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...) Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	51	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 from calf spleen at 1 mM PO4				J Med Chem 36: 3771-83 (1994) BindingDB Entry DOI: 10.7270/Q23J3DKS
					More data for this Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50039547 (2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...) Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	51	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))	BDBM50039547 (2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...) Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	210	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 (Rattus norvegicus)	BDBM50039547 (2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...) Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)				J Med Chem 37: 2477-80 (1994) BindingDB Entry DOI: 10.7270/Q21G0K9T
					More data for this Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50039547 (2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...) Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.				J Med Chem 42: 2422-31 (1999) Article DOI: 10.1021/jm990037y BindingDB Entry DOI: 10.7270/Q2CR5SKN
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50039547 (2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...) Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal da Bahia Curated by ChEMBL					Assay Description Inhibition of human purine nucleoside phosphorylase				Bioorg Med Chem 18: 1421-7 (2010) Article DOI: 10.1016/j.bmc.2010.01.022 BindingDB Entry DOI: 10.7270/Q2571C49
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50039547 (2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...) Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	210	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 from calf spleen at 50 mM PO4				J Med Chem 36: 3771-83 (1994) BindingDB Entry DOI: 10.7270/Q23J3DKS
					More data for this Ligand-Target Pair