BDBM50051717 2-Mercapto-7,8-dihydro-3H,6H-5-thia-1,3,4,8a-tetraaza-cyclopenta[b]naphthalen-9-one::CHEMBL84718

SMILES: O=c1n2CCCSc2nc2[nH]c(=S)[nH]c12

InChI Key: InChIKey=TYXWZEWGDMBWAY-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 = 50051717   

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))	BDBM50051717 (2-Mercapto-7,8-dihydro-3H,6H-5-thia-1,3,4,8a-tetra...) Show SMILES O=c1n2CCCSc2nc2[nH]c(=S)[nH]c12 Show InChI InChI=1S/C8H8N4OS2/c13-6-4-5(10-7(14)9-4)11-8-12(6)2-1-3-15-8/h1-3H2,(H2,9,10,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.31E+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