Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM50452580'   

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))	BDBM50452580 (CHEMBL4205363) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Br)cc1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Br)cc1 Show InChI InChI=1S/C40H32Br2N8O2S2/c1-22-2-4-23(5-3-22)36(32-20-43-34-16-6-24(18-30(32)34)37(51)47-49-39(53)45-28-12-8-26(41)9-13-28)33-21-44-35-17-7-25(19-31(33)35)38(52)48-50-40(54)46-29-14-10-27(42)11-15-29/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method				Bioorg Med Chem 26: 152-160 (2018) Article DOI: 10.1016/j.bmc.2017.11.028 BindingDB Entry DOI: 10.7270/Q22N54VJ
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