BDBM50042363 CHEMBL333946::{2-[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-ylmethyl)-phenyl]-ethyl}-phosphonic acid

SMILES: Nc1nc2n(Cc3ccccc3CCP(O)(O)=O)cnc2c(=O)[nH]1

InChI Key: InChIKey=HUKSVHVNPDSCKS-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50042363   

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 (Homo sapiens (Human))	BDBM50042363 (CHEMBL333946 | {2-[2-(2-Amino-6-oxo-1,6-dihydro-pu...) Show SMILES Nc1nc2n(Cc3ccccc3CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C14H16N5O4P/c15-14-17-12-11(13(20)18-14)16-8-19(12)7-10-4-2-1-3-9(10)5-6-24(21,22)23/h1-4,8H,5-7H2,(H2,21,22,23)(H3,15,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay				J Med Chem 36: 3455-63 (1993) BindingDB Entry DOI: 10.7270/Q2PR7V1V
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50042363 (CHEMBL333946 | {2-[2-(2-Amino-6-oxo-1,6-dihydro-pu...) Show SMILES Nc1nc2n(Cc3ccccc3CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C14H16N5O4P/c15-14-17-12-11(13(20)18-14)16-8-19(12)7-10-4-2-1-3-9(10)5-6-24(21,22)23/h1-4,8H,5-7H2,(H2,21,22,23)(H3,15,17,18,20)	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	35	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 (Mus musculus)	BDBM50042363 (CHEMBL333946 | {2-[2-(2-Amino-6-oxo-1,6-dihydro-pu...) Show SMILES Nc1nc2n(Cc3ccccc3CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C14H16N5O4P/c15-14-17-12-11(13(20)18-14)16-8-19(12)7-10-4-2-1-3-9(10)5-6-24(21,22)23/h1-4,8H,5-7H2,(H2,21,22,23)(H3,15,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	450	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