Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5'-AMP-activated protein kinase catalytic subunit alpha-2' and Ligand = 'BDBM328272'   

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))	BDBM328272 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-5-(4-(4- (tr...) Show SMILES FC(F)(F)Sc1ccc(OC2CCN(CC2)C(=O)c2ccc(nc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C32H32F3N5O3S/c33-32(34,35)44-28-8-6-26(7-9-28)43-27-13-17-40(18-14-27)31(42)24-5-10-29(37-20-24)30(41)38-25-11-15-39(16-12-25)21-23-3-1-22(19-36)2-4-23/h1-10,20,25,27H,11-18,21H2,(H,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US10377742 (2019) BindingDB Entry DOI: 10.7270/Q2RV0R22
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328272 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-5-(4-(4- (tr...) Show SMILES FC(F)(F)Sc1ccc(OC2CCN(CC2)C(=O)c2ccc(nc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C32H32F3N5O3S/c33-32(34,35)44-28-8-6-26(7-9-28)43-27-13-17-40(18-14-27)31(42)24-5-10-29(37-20-24)30(41)38-25-11-15-39(16-12-25)21-23-3-1-22(19-36)2-4-23/h1-10,20,25,27H,11-18,21H2,(H,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair