BDBM50051721 CHEMBL85062::N-(6-Oxo-6,9-dihydro-1H-purin-2-yl)-butyramide

SMILES: CCCC(=O)Nc1nc2nc[nH]c2c(=O)[nH]1

InChI Key: InChIKey=NLQPNFQTSJQJAH-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50051721   

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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50051721 (CHEMBL85062 | N-(6-Oxo-6,9-dihydro-1H-purin-2-yl)-...) Show SMILES CCCC(=O)Nc1nc2nc[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C9H11N5O2/c1-2-3-5(15)12-9-13-7-6(8(16)14-9)10-4-11-7/h4H,2-3H2,1H3,(H3,10,11,12,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena Curated by ChEMBL					Assay Description Inhibitory activity against Xanthine Oxidase				J Med Chem 39: 2529-35 (1996) Article DOI: 10.1021/jm950876u BindingDB Entry DOI: 10.7270/Q23R0RZS
					More data for this Ligand-Target Pair