Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1' and Ligand = 'BDBM60978'   

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))	BDBM60978 (6-Chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxy...) Show SMILES COc1ccc(cc1)-c1cc2c(n[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C15H11ClN2O3/c1-21-9-4-2-8(3-5-9)10-6-11-13(7-12(10)16)17-18-14(11)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	202	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
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM60978 (6-Chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxy...) Show SMILES COc1ccc(cc1)-c1cc2c(n[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C15H11ClN2O3/c1-21-9-4-2-8(3-5-9)10-6-11-13(7-12(10)16)17-18-14(11)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM60978 (6-Chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxy...) Show SMILES COc1ccc(cc1)-c1cc2c(n[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C15H11ClN2O3/c1-21-9-4-2-8(3-5-9)10-6-11-13(7-12(10)16)17-18-14(11)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	323	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphoryl...				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair