Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MAP kinase-interacting serine/threonine-protein kinase 2' and Ligand = 'BDBM136197'   

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
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM136197 (US8853193, 23-6) Show SMILES CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C Show InChI InChI=1S/C22H26F3N5O2S/c1-13-18-20(29-16-6-5-14(25)9-17(16)32-15(10-23)11-24)27-12-28-22(18)33-19(13)21(31)26-7-4-8-30(2)3/h5-6,9,12,15H,4,7-8,10-11H2,1-3H3,(H,26,31)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	30
Boehringer Ingelheim International GmbH US Patent					Assay Description Inhibition of kinase activity of Mnk1 and Mnk2a was assessed with the same assay system, using pre-activated GST-Mnk1 or GST-Mnk2a, respectively. The...				US Patent US8853193 (2014) BindingDB Entry DOI: 10.7270/Q2GX4983
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