Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Malignant T-cell-amplified sequence 1' and Ligand = 'BDBM403228'   

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
Malignant T-cell-amplified sequence 1 (Homo sapiens (human))	BDBM403228 (US10329303, Example 27) Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3ccc(F)c(CO)c3F)n(Cc3cccc4ccccc34)cc12 |(-5.32,-6.29,;-5.32,-4.75,;-6.65,-3.98,;-3.98,-3.98,;-3.98,-2.44,;-5.32,-1.67,;-5.32,-.13,;-6.65,.64,;-3.98,.64,;-3.98,2.18,;-2.65,-.13,;-1.18,.34,;-.79,1.83,;-1.88,2.92,;-1.48,4.41,;.01,4.81,;.41,6.29,;1.1,3.72,;2.59,4.12,;2.99,5.6,;.7,2.23,;1.79,1.14,;-.28,-.9,;1.26,-.9,;2.03,-2.24,;1.26,-3.57,;2.03,-4.9,;3.57,-4.9,;4.34,-3.57,;5.88,-3.57,;6.65,-2.24,;5.88,-.9,;4.34,-.9,;3.57,-2.24,;-1.18,-2.15,;-2.65,-1.67,)| Show InChI InChI=1S/C29H27F2N3O2/c1-17(2)13-25-22-15-34(14-19-9-6-8-18-7-4-5-10-20(18)19)28(26(22)29(36)33(3)32-25)21-11-12-24(30)23(16-35)27(21)31/h4-12,15,17,35H,13-14,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
Virginia Commonwealth University					Assay Description pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...				Bioorg Med Chem 17: 6496-504 (2009) BindingDB Entry DOI: 10.7270/Q2B27XM9
					More data for this Ligand-Target Pair