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/subunit beta-1/subunit gamma-1' and Ligand = 'BDBM50434260'   

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/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50434260 (CHEMBL2386122) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(=C(/c3ccccc3)c3ccc(Cl)cc3)c3ccccc23)nc1 Show InChI InChI=1S/C28H19ClN2O3/c29-21-13-10-19(11-14-21)25(18-6-2-1-3-7-18)26-23-8-4-5-9-24(23)31(27(26)32)17-22-15-12-20(16-30-22)28(33)34/h1-16H,17H2,(H,33,34)/b26-25+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of recombinant AMPK alpha2beta1gamma1 (unknown origin) after 2 hrs by scintillation proximity assay				ACS Med Chem Lett 4: 475-80 (2013) Article DOI: 10.1021/ml400028q BindingDB Entry DOI: 10.7270/Q2Z039HW
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