BDBM50244668 CHEMBL4059813

SMILES: OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@H]3CCCCO3)c(F)c12

InChI Key: InChIKey=JQJNGAWEMYQJIQ-MRXNPFEDSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50244668   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM50244668 (CHEMBL4059813) Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@H]3CCCCO3)c(F)c12 |r| Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair