BDBM50042799 3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-phenyl-propionic acid::CHEMBL79460

SMILES: Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC(O)=O)c1ccccc1

InChI Key: InChIKey=VEDWLJMIJINPSJ-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50042799   

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))	BDBM50042799 (3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C15H14N4O3/c16-15-18-12-10(7-17-13(12)14(22)19-15)9(6-11(20)21)8-4-2-1-3-5-8/h1-5,7,9,17H,6H2,(H,20,21)(H3,16,18,19,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	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 (PNP) (Bos taurus (bovine))	BDBM50042799 (3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C15H14N4O3/c16-15-18-12-10(7-17-13(12)14(22)19-15)9(6-11(20)21)8-4-2-1-3-5-8/h1-5,7,9,17H,6H2,(H,20,21)(H3,16,18,19,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	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 (Homo sapiens (Human))	BDBM50042799 (3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C15H14N4O3/c16-15-18-12-10(7-17-13(12)14(22)19-15)9(6-11(20)21)8-4-2-1-3-5-8/h1-5,7,9,17H,6H2,(H,20,21)(H3,16,18,19,22)	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	13	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))	BDBM50042799 (3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C15H14N4O3/c16-15-18-12-10(7-17-13(12)14(22)19-15)9(6-11(20)21)8-4-2-1-3-5-8/h1-5,7,9,17H,6H2,(H,20,21)(H3,16,18,19,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46.8	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))	BDBM50042799 (3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C15H14N4O3/c16-15-18-12-10(7-17-13(12)14(22)19-15)9(6-11(20)21)8-4-2-1-3-5-8/h1-5,7,9,17H,6H2,(H,20,21)(H3,16,18,19,22)	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	187	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