Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Malignant T-cell-amplified sequence 1' and Ligand = 'BDBM403188'   

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))	BDBM403188 (US10329303, Example 21) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccc(F)c(CO)c3F)c2c(=O)n(C2CC2)c1=O |(-3.39,-6.29,;-3.39,-4.75,;-4.73,-3.98,;-2.06,-3.98,;-2.06,-2.44,;-.72,-1.67,;.74,-2.15,;1.65,-.9,;3.19,-.9,;3.96,-2.24,;3.48,-3.7,;2.15,-4.47,;4.73,-4.61,;5.97,-3.7,;5.5,-2.24,;6.27,-.9,;.74,.34,;1.14,1.83,;.05,2.92,;.45,4.41,;1.94,4.81,;2.33,6.29,;3.02,3.72,;4.51,4.12,;5.6,3.03,;2.63,2.23,;3.72,1.14,;-.72,-.13,;-2.06,.64,;-2.06,2.18,;-3.39,-.13,;-4.73,.64,;-6.27,.64,;-5.5,1.97,;-3.39,-1.67,;-4.73,-2.44,)| Show InChI InChI=1S/C26H28F2N4O3S/c1-12(2)10-31-25-22(24(34)32(26(31)35)15-5-6-15)21(16-7-8-19(27)18(11-33)23(16)28)20(36-25)9-17-13(3)29-30-14(17)4/h7-8,12,15,33H,5-6,9-11H2,1-4H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	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
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