Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM181077'   

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))	BDBM181077 (2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(2-chlorophe...) Show SMILES Clc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C21H15ClN4OS2/c22-15-5-1-2-6-16(15)24-21(28)26-25-19(27)13-9-11-14(12-10-13)20-23-17-7-3-4-8-18(17)29-20/h1-12H,(H,25,27)(H2,24,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	6.8	30
Universiti Teknologi MARA (UiTM), Puncak Alam Campus					Assay Description To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked con...				Bioorg Chem 66: 80-7 (2016) Article DOI: 10.1016/j.bioorg.2016.03.010 BindingDB Entry DOI: 10.7270/Q20G3HXW
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