Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Casein kinase II subunit beta' and Ligand = 'BDBM219758'   

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
Casein kinase II subunit beta (Homo sapiens (Human))	BDBM219758 (US9303033, Q36, Table 41A, Compound 3) Show SMILES CN(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:6.5,wD:9.12,(-9.59,3.35,;-8.26,4.12,;-8.26,5.66,;-6.92,3.35,;-5.59,4.12,;-6.92,1.81,;-5.59,1.04,;-4.26,1.81,;-2.92,1.04,;-2.92,-.5,;-4.26,-1.27,;-5.59,-.5,;-1.59,-1.27,;-.25,-.5,;-.25,1.04,;1.08,1.81,;1.08,3.35,;2.41,4.12,;3.95,4.12,;3.18,5.45,;2.41,1.04,;3.88,1.52,;4.78,.27,;3.88,-.98,;4.28,-2.46,;5.76,-2.86,;7.01,-1.96,;8.26,-2.86,;9.59,-2.09,;7.78,-4.33,;6.24,-4.33,;5.47,-5.66,;2.41,-.5,;1.08,-1.27,)| Show InChI InChI=1S/C22H29N9O3/c1-30(2)22(34)26-15-7-3-13(4-8-15)24-17-10-18(25-14-5-6-14)31-19(28-17)12(11-23-31)9-16-20(32)29-21(33)27-16/h9-11,13-15,25H,3-8H2,1-2H3,(H,24,28)(H,26,34)(H2,27,29,32,33)/b16-9-/t13-,15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	679	n/a	n/a	n/a	n/a	7.0	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description Test compounds dissolved and diluted in DMSO (2 μl) were added to a reaction mixture comprising 10 μl of 5× Reaction Buffer (40 mM MOPS pH ...				US Patent US9303033 (2016) BindingDB Entry DOI: 10.7270/Q2CN72RX
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