BDBM50426766 CHEMBL2322144

SMILES: CC(C)(C)c1ccc(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)cc1

InChI Key: InChIKey=LSLRDWRXKBITFG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50426766   

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 (Bos taurus (Bovine))	BDBM50426766 (CHEMBL2322144) Show SMILES CC(C)(C)c1ccc(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)cc1 Show InChI InChI=1S/C22H22N4O2/c1-22(2,3)17-7-4-14(5-8-17)13-28-19-9-6-15(10-16(19)12-23)18-11-20(27)26-21(24)25-18/h4-11H,13H2,1-3H3,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair