BDBM50051728 2-Phenyl-7,8-dihydro-3H,6H-9-thia-1,3,4,5a-tetraaza-cyclopenta[a]naphthalen-5-one::CHEMBL82848

SMILES: O=c1[nH]c2nc(nc2c2SCCCn12)-c1ccccc1

InChI Key: InChIKey=VZJNWUGPFOPMFQ-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 = 50051728   

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))	BDBM50051728 (2-Phenyl-7,8-dihydro-3H,6H-9-thia-1,3,4,5a-tetraaz...) Show SMILES O=c1[nH]c2nc(nc2c2SCCCn12)-c1ccccc1 Show InChI InChI=1S/C14H12N4OS/c19-14-17-12-10(13-18(14)7-4-8-20-13)15-11(16-12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.30E+4	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