Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5'-AMP-activated protein kinase catalytic subunit alpha-2' and Ligand = 'BDBM244220'   

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
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244220 (US9428501, 7) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3[nH]c(nc3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C31H34F3N7O2/c1-43-28-18-35-25(17-36-28)20-39-10-8-22(9-11-39)23-4-7-26-27(16-23)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-24(6-3-21)31(32,33)34/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.30	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
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