BDBM50051723 2-Mercapto-7-methyl-7,8-dihydro-3H,6H-5-thia-1,3,4,8a-tetraaza-cyclopenta[b]naphthalen-9-one::CHEMBL85314

SMILES: CC1CSc2nc3[nH]c(=S)[nH]c3c(=O)n2C1

InChI Key: InChIKey=IDMAVHKHEWUJPY-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 = 50051723   

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))	BDBM50051723 (2-Mercapto-7-methyl-7,8-dihydro-3H,6H-5-thia-1,3,4...) Show SMILES CC1CSc2nc3[nH]c(=S)[nH]c3c(=O)n2C1 Show InChI InChI=1S/C9H10N4OS2/c1-4-2-13-7(14)5-6(11-8(15)10-5)12-9(13)16-3-4/h4H,2-3H2,1H3,(H2,10,11,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	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