BDBM50051739 2-Hexylsulfanyl-8-phenyl-1,9-dihydro-purin-6-one::CHEMBL82755

SMILES: CCCCCCSc1nc2nc([nH]c2c(=O)[nH]1)-c1ccccc1

InChI Key: InChIKey=RKBBGTGBNCABPV-UHFFFAOYSA-N

Data: 1 KI

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 = 50051739   

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))	BDBM50051739 (2-Hexylsulfanyl-8-phenyl-1,9-dihydro-purin-6-one |...) Show SMILES CCCCCCSc1nc2nc([nH]c2c(=O)[nH]1)-c1ccccc1 Show InChI InChI=1S/C17H20N4OS/c1-2-3-4-8-11-23-17-20-15-13(16(22)21-17)18-14(19-15)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H2,18,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	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