Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM50123234'   

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))	BDBM50123234 (CHEMBL3622687) Show SMILES Brc1ccc(cc1)-c1[nH]c2ccccc2c1-c1nc(c(-c2ccccc2)n1-c1ccccc1)-c1ccccc1 |(8.5,-.27,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.2,.03,;4.87,-1.36,;6.41,-1.46,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;1.41,3.98,;-.13,4.08,;-1.08,2.88,;-2.6,3.1,;-3.17,4.53,;-2.22,5.74,;-.69,5.52,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,)| Show InChI InChI=1S/C35H24BrN3/c36-27-22-20-25(21-23-27)32-31(29-18-10-11-19-30(29)37-32)35-38-33(24-12-4-1-5-13-24)34(26-14-6-2-7-15-26)39(35)28-16-8-3-9-17-28/h1-23,37H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...				Eur J Med Chem 102: 464-70 (2015) Article DOI: 10.1016/j.ejmech.2015.08.011 BindingDB Entry DOI: 10.7270/Q2PV6N68
					More data for this Ligand-Target Pair