Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1' and Ligand = 'BDBM237971'   

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-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237971 (US9394285, 54) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OCCCN2CCOCC2=O)cc1 Show InChI InChI=1S/C22H21ClN2O5/c23-19-11-20-17(18(12-24-20)22(27)28)10-16(19)14-2-4-15(5-3-14)30-8-1-6-25-7-9-29-13-21(25)26/h2-5,10-12,24H,1,6-9,13H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	32.5	n/a	n/a	7.5	25
Pfizer Inc. US Patent					Assay Description The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...				US Patent US9394285 (2016) BindingDB Entry DOI: 10.7270/Q2DB80Q7
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