BDBM50016697 CHEMBL3277223

SMILES: Oc1cc(O)n2ncc(-c3cccc4ccccc34)c2n1

InChI Key: InChIKey=ROYOHVTXBIPYES-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 = 50016697   

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))	BDBM50016697 (CHEMBL3277223) Show SMILES Oc1cc(O)n2ncc(-c3cccc4ccccc34)c2n1 Show InChI InChI=1S/C16H11N3O2/c20-14-8-15(21)19-16(18-14)13(9-17-19)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,21H,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Non-competitive 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
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50016697 (CHEMBL3277223) Show SMILES Oc1cc(O)n2ncc(-c3cccc4ccccc34)c2n1 Show InChI InChI=1S/C16H11N3O2/c20-14-8-15(21)19-16(18-14)13(9-17-19)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,21H,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Non-competitive 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