Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease subunit beta' and Ligand = 'BDBM50534505'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50534505 (CHEMBL4568283) Show SMILES CN(O)C(=O)CC(O)c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C17H18ClNO4/c1-19(22)17(21)10-15(20)14-9-13(18)7-8-16(14)23-11-12-5-3-2-4-6-12/h2-9,15,20,22H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori urease using urea as substrate assessed as ammonia production after 50 mins by indophenol method				Bioorg Med Chem 24: 4519-4527 (2016) Article DOI: 10.1016/j.bmc.2016.07.052 BindingDB Entry DOI: 10.7270/Q24F1V76
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