BDBM50051736 7,8-Dihydro-3H,6H-9-thia-1,2,3,4,5a-pentaaza-cyclopenta[a]naphthalen-5-one::CHEMBL315969

SMILES: O=c1[nH]c2nnnc2c2SCCCn12

InChI Key: InChIKey=TVYQLGHZPCLRIJ-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 = 50051736   

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))	BDBM50051736 (7,8-Dihydro-3H,6H-9-thia-1,2,3,4,5a-pentaaza-cyclo...) Show SMILES O=c1[nH]c2nnnc2c2SCCCn12 Show InChI InChI=1S/C7H7N5OS/c13-7-8-5-4(9-11-10-5)6-12(7)2-1-3-14-6/h1-3H2,(H,8,9,10,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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