BDBM50051727 2-Pentylsulfanyl-1,9-dihydro-purin-6-one::CHEMBL86021

SMILES: CCCCCSc1nc2nc[nH]c2c(=O)[nH]1

InChI Key: InChIKey=HRVGOCBPYAWHNA-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50051727   

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))	BDBM50051727 (2-Pentylsulfanyl-1,9-dihydro-purin-6-one | CHEMBL8...) Show SMILES CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C10H14N4OS/c1-2-3-4-5-16-10-13-8-7(9(15)14-10)11-6-12-8/h6H,2-5H2,1H3,(H2,11,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	155	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50051727 (2-Pentylsulfanyl-1,9-dihydro-purin-6-one | CHEMBL8...) Show SMILES CCCCCSc1nc2nc[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C10H14N4OS/c1-2-3-4-5-16-10-13-8-7(9(15)14-10)11-6-12-8/h6H,2-5H2,1H3,(H2,11,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+3	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