Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM50030396'   

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))	BDBM50030396 (CHEMBL3344249) Show SMILES CC(C)[C@H](NC(=O)CNC(=S)Nc1ccc(F)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C37H48FN9O5S2/c1-22(2)31(42-30(49)21-40-37(53)41-25-13-11-24(38)12-14-25)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-7-9-27(47)35(51)46-18-16-45(17-19-46)33-26-8-5-6-10-28(26)54-44-33/h5-6,8,10-14,22-23,27,31-32H,7,9,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
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