Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Malignant T-cell-amplified sequence 1' and Ligand = 'BDBM403158'   

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))	BDBM403158 (US10329303, Example 17) Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(C)cc(CO)c3F)c2c(=O)n(C2CC2)c1=O |(-3.39,-5.89,;-3.39,-4.35,;-4.73,-3.58,;-2.06,-3.58,;-2.06,-2.04,;-.72,-1.27,;.74,-1.75,;1.65,-.5,;3.19,-.5,;3.96,-1.84,;3.48,-3.3,;2.15,-4.07,;4.73,-4.21,;5.97,-3.3,;5.5,-1.84,;6.27,-.5,;.74,.74,;1.14,2.23,;.05,3.32,;.45,4.81,;-.64,5.89,;1.94,5.2,;3.02,4.12,;4.51,4.51,;5.6,3.42,;2.63,2.63,;3.72,1.54,;-.72,.27,;-2.06,1.04,;-2.06,2.58,;-3.39,.27,;-4.73,1.04,;-6.27,1.04,;-5.5,2.37,;-3.39,-1.27,;-4.73,-2.04,)| Show InChI InChI=1S/C27H31FN4O3S/c1-13(2)11-31-26-23(25(34)32(27(31)35)18-6-7-18)22(20-9-14(3)8-17(12-33)24(20)28)21(36-26)10-19-15(4)29-30-16(19)5/h8-9,13,18,33H,6-7,10-12H2,1-5H3,(H,29,30)	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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