BDBM50448379 CHEMBL2338666

SMILES: COc1cccc2C(=O)c3cc(\C=N\[C@H]4C(OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)cc(OC)c3C(=O)c12

InChI Key: InChIKey=ZBDMNFUTRMHYER-BWIGBHNMSA-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 = 50448379   

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 (Bos taurus (Bovine))	BDBM50448379 (CHEMBL2338666) Show SMILES COc1cccc2C(=O)c3cc(\C=N\[C@H]4C(OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)cc(OC)c3C(=O)c12 |r| Show InChI InChI=1S/C31H31NO13/c1-14(33)41-13-23-29(42-15(2)34)30(43-16(3)35)26(31(45-23)44-17(4)36)32-12-18-10-20-25(22(11-18)40-6)28(38)24-19(27(20)37)8-7-9-21(24)39-5/h7-12,23,26,29-31H,13H2,1-6H3/b32-12+/t23-,26-,29-,30+,31?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6 mins at 25 degC by spectrophotometry				Eur J Med Chem 75: 289-96 (2014) Article DOI: 10.1016/j.ejmech.2014.01.058 BindingDB Entry DOI: 10.7270/Q2F76F2M
					More data for this Ligand-Target Pair