BDBM50016701 CHEMBL3276843

SMILES: CC(=O)Nc1ccc(cc1)-c1cnn2c(O)cc(O)nc12

InChI Key: InChIKey=GTXMRYGWIYZRJN-UHFFFAOYSA-N

Data: 2 KI

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 = 50016701   

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))	BDBM50016701 (CHEMBL3276843) Show SMILES CC(=O)Nc1ccc(cc1)-c1cnn2c(O)cc(O)nc12 Show InChI InChI=1S/C14H12N4O3/c1-8(19)16-10-4-2-9(3-5-10)11-7-15-18-13(21)6-12(20)17-14(11)18/h2-7,21H,1H3,(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis				J Med Chem 19: 291-6 (1976) BindingDB Entry DOI: 10.7270/Q2XP76G9
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50016701 (CHEMBL3276843) Show SMILES CC(=O)Nc1ccc(cc1)-c1cnn2c(O)cc(O)nc12 Show InChI InChI=1S/C14H12N4O3/c1-8(19)16-10-4-2-9(3-5-10)11-7-15-18-13(21)6-12(20)17-14(11)18/h2-7,21H,1H3,(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis				J Med Chem 19: 291-6 (1976) BindingDB Entry DOI: 10.7270/Q2XP76G9
					More data for this Ligand-Target Pair