BDBM192509 US9187477, 5

SMILES: O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)NC(=O)OC1CCOCC1

InChI Key:

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 = 192509   

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 catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192509 (US9187477, 5) Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)NC(=O)OC1CCOCC1 |r,wU:26.30,5.10,1.0,29.37,(12.5,-7.38,;11.73,-6.05,;12.21,-4.58,;10.96,-3.68,;9.72,-4.58,;8.18,-4.58,;7.7,-6.05,;8.95,-6.95,;10.19,-6.05,;7.41,-3.25,;5.87,-3.25,;4.96,-4.49,;3.5,-4.02,;2.17,-4.79,;.83,-4.02,;-.5,-4.79,;.83,-2.48,;2.17,-1.71,;3.5,-2.48,;4.96,-2,;-.5,-1.71,;-.5,-.17,;-1.84,.6,;-3.17,-.17,;-3.17,-1.71,;-1.84,-2.48,;-4.5,.6,;-4.5,2.14,;-5.84,2.91,;-7.17,2.14,;-7.17,.6,;-5.84,-.17,;-8.5,2.91,;-9.84,2.14,;-9.84,.6,;-11.17,2.91,;-11.17,4.45,;-12.5,5.22,;-12.5,6.76,;-11.17,7.53,;-9.84,6.76,;-9.84,5.22,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	119	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair