Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM50106619'   

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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50106619 (CHEMBL3600579) Show SMILES Oc1cc(O)c(\C=N\NC(=O)c2ccc(\C=C3\C(=O)Nc4ccc(Cl)cc34)cc2)cc1O Show InChI InChI=1S/C23H16ClN3O5/c24-15-5-6-18-16(9-15)17(23(32)26-18)7-12-1-3-13(4-2-12)22(31)27-25-11-14-8-20(29)21(30)10-19(14)28/h1-11,28-30H,(H,26,32)(H,27,31)/b17-7+,25-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA Puncak Alam Campus Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay				Bioorg Med Chem Lett 25: 3285-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.069 BindingDB Entry DOI: 10.7270/Q2GT5PZZ
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