Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM50129803'   

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))	BDBM50129803 (CHEMBL3629547) Show SMILES Brc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1Br Show InChI InChI=1S/C26H20Br2N4S4/c27-17-9-1-3-11-19(17)29-25(33)31-21-13-5-7-15-23(21)35-36-24-16-8-6-14-22(24)32-26(34)30-20-12-4-2-10-18(20)28/h1-16H,(H2,29,31,33)(H2,30,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM) Curated by ChEMBL					Assay Description Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method				Bioorg Med Chem 23: 7211-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.017 BindingDB Entry DOI: 10.7270/Q2W097RV
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