BDBM50320495 5-[4-(4-tert-butylbenzyloxy)-3-nitrophenyl]isoxazole-3-carboxylicacid::CHEMBL1163781

SMILES: CC(C)(C)c1ccc(COc2ccc(cc2[N+]([O-])=O)-c2cc([n-][o+]2)C(O)=O)cc1

InChI Key: InChIKey=VQOQDYLJULXJJF-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 = 50320495   

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))	BDBM50320495 (5-[4-(4-tert-butylbenzyloxy)-3-nitrophenyl]isoxazo...) Show SMILES CC(C)(C)c1ccc(COc2ccc(cc2[N+]([O-])=O)-c2cc([n-][o+]2)C(O)=O)cc1 Show InChI InChI=1S/C21H20N2O6/c1-21(2,3)15-7-4-13(5-8-15)12-28-18-9-6-14(10-17(18)23(26)27)19-11-16(20(24)25)22-29-19/h4-11H,12H2,1-3H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	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 by spectrophotometry				Eur J Med Chem 45: 2663-70 (2010) Article DOI: 10.1016/j.ejmech.2010.02.013 BindingDB Entry DOI: 10.7270/Q2R211KJ
					More data for this Ligand-Target Pair