BDBM50517021 CHEMBL4445985

SMILES: CC(C)CCOc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=N)[nH]1

InChI Key: InChIKey=ZEEAXDGUEMBVMX-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50517021   

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))	BDBM50517021 (CHEMBL4445985) Show SMILES CC(C)CCOc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=N)[nH]1 Show InChI InChI=1S/C17H18N4O3/c1-10(2)5-6-24-14-4-3-11(7-12(14)8-18)16-20-9-13(17(22)23)15(19)21-16/h3-4,7,9-10H,5-6H2,1-2H3,(H,22,23)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Mixed type inhibition of bovine xanthine oxidase using xanthine as substrate preincubated with enzyme for 15 mins followed by substrate addition and ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.061
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50517021 (CHEMBL4445985) Show SMILES CC(C)CCOc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=N)[nH]1 Show InChI InChI=1S/C17H18N4O3/c1-10(2)5-6-24-14-4-3-11(7-12(14)8-18)16-20-9-13(17(22)23)15(19)21-16/h3-4,7,9-10H,5-6H2,1-2H3,(H,22,23)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Mixed type inhibition of bovine xanthine oxidase using xanthine as substrate preincubated with enzyme for 15 mins followed by substrate addition and ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.061
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50517021 (CHEMBL4445985) Show SMILES CC(C)CCOc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=N)[nH]1 Show InChI InChI=1S/C17H18N4O3/c1-10(2)5-6-24-14-4-3-11(7-12(14)8-18)16-20-9-13(17(22)23)15(19)21-16/h3-4,7,9-10H,5-6H2,1-2H3,(H,22,23)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	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 assessed as reduction in uric acid formation using xanthine as substrate preincubated with enzyme for 15 mins f...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.061
					More data for this Ligand-Target Pair