Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Malignant T-cell-amplified sequence 1' and Ligand = 'BDBM402882'   

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))	BDBM402882 (US10329303, Example 2) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(C)cc(CO)c3F)c2c(=O)n(C)c1=O |(-4.16,-5.89,;-4.16,-4.35,;-5.5,-3.58,;-2.83,-3.58,;-2.83,-2.04,;-1.49,-1.27,;-.03,-1.75,;.88,-.5,;2.42,-.5,;3.19,-1.84,;2.71,-3.3,;1.38,-4.07,;3.96,-4.21,;5.2,-3.3,;4.73,-1.84,;5.5,-.5,;-.03,.74,;.37,2.23,;-.72,3.32,;-.32,4.81,;-1.41,5.89,;1.17,5.2,;2.25,4.12,;3.74,4.51,;4.83,3.42,;1.86,2.63,;2.95,1.54,;-1.49,.27,;-2.83,1.04,;-2.83,2.58,;-4.16,.27,;-5.5,1.04,;-4.16,-1.27,;-5.5,-2.04,)| Show InChI InChI=1S/C25H29FN4O3S/c1-12(2)10-30-24-21(23(32)29(6)25(30)33)20(18-8-13(3)7-16(11-31)22(18)26)19(34-24)9-17-14(4)27-28-15(17)5/h7-8,12,31H,9-11H2,1-6H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	100	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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