BDBM50254496 4-(3-(4-isobutoxy-3-nitrophenyl)-1H-1,2,4-triazol-5-yl)pyridine::4-(5-(4-isobutoxy-3-nitrophenyl)-1H-1,2,4-triazol-3-yl)pyridine::CHEMBL468704

SMILES: CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccncc1

InChI Key: InChIKey=GJUQULNTUDILRT-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 = 50254496   

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))	BDBM50254496 (4-(3-(4-isobutoxy-3-nitrophenyl)-1H-1,2,4-triazol-...) Show SMILES CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccncc1 Show InChI InChI=1S/C17H17N5O3/c1-11(2)10-25-15-4-3-13(9-14(15)22(23)24)17-19-16(20-21-17)12-5-7-18-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Fuji Yakuhin Co., Ltd Curated by ChEMBL					Assay Description Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer				Bioorg Med Chem Lett 19: 6225-9 (2009) Article DOI: 10.1016/j.bmcl.2009.08.091 BindingDB Entry DOI: 10.7270/Q2XS5VHW
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50254496 (4-(3-(4-isobutoxy-3-nitrophenyl)-1H-1,2,4-triazol-...) Show SMILES CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccncc1 Show InChI InChI=1S/C17H17N5O3/c1-11(2)10-25-15-4-3-13(9-14(15)22(23)24)17-19-16(20-21-17)12-5-7-18-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fuji Yakuhin Co, Ltd Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine oxidoreductase				Bioorg Med Chem Lett 19: 184-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.122 BindingDB Entry DOI: 10.7270/Q2DR2VBH
					More data for this Ligand-Target Pair