BDBM50057017 CHEMBL3331615::US9802907, Compound 7

SMILES: CC(C)COc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O

InChI Key: InChIKey=GDGJMHSGANQKMG-UHFFFAOYSA-N

Data: 2 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 = 50057017   

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 oxidase (Homo sapiens (Human))	BDBM50057017 (CHEMBL3331615 | US9802907, Compound 7) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O Show InChI InChI=1S/C16H16N2O3Se/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.05	n/a	n/a	n/a	n/a	n/a	n/a
JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. US Patent					Assay Description The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (H...				US Patent US9802907 (2017) BindingDB Entry DOI: 10.7270/Q2PN97S0
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50057017 (CHEMBL3331615 | US9802907, Compound 7) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c([se]1)C(O)=O Show InChI InChI=1S/C16H16N2O3Se/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry				Eur J Med Chem 85: 508-16 (2014) Article DOI: 10.1016/j.ejmech.2014.08.014 BindingDB Entry DOI: 10.7270/Q2HX1F9C
					More data for this Ligand-Target Pair