BDBM50254555 2-chloro-4-(5-(4-isobutoxy-3-nitrophenyl)-1H-1,2,4-triazol-3-yl)pyridine::CHEMBL516626

SMILES: CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccnc(Cl)c1

InChI Key: InChIKey=NZWIZGDFGDJSAD-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50254555   

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))	BDBM50254555 (2-chloro-4-(5-(4-isobutoxy-3-nitrophenyl)-1H-1,2,4...) Show SMILES CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccnc(Cl)c1 Show InChI InChI=1S/C17H16ClN5O3/c1-10(2)9-26-14-4-3-11(7-13(14)23(24)25)16-20-17(22-21-16)12-5-6-19-15(18)8-12/h3-8,10H,9H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 15 mins followed by s...				Eur J Med Chem 146: 668-677 (2018) Article DOI: 10.1016/j.ejmech.2018.01.060 BindingDB Entry DOI: 10.7270/Q2ZW1PKJ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50254555 (2-chloro-4-(5-(4-isobutoxy-3-nitrophenyl)-1H-1,2,4...) Show SMILES CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccnc(Cl)c1 Show InChI InChI=1S/C17H16ClN5O3/c1-10(2)9-26-14-4-3-11(7-13(14)23(24)25)16-20-17(22-21-16)12-5-6-19-15(18)8-12/h3-8,10H,9H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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