BDBM192513 US9187477, 9

SMILES: O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@H]1CC[C@@H](CC1)OC(=O)N1CCCC1

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 = 192513   

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))	BDBM192513 (US9187477, 9) Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@H]1CC[C@@H](CC1)OC(=O)N1CCCC1 |r,wU:26.30,5.10,1.0,wD:29.37,(12.88,-6.05,;12.11,-4.72,;12.58,-3.25,;11.34,-2.35,;10.09,-3.25,;8.55,-3.25,;8.08,-4.72,;9.32,-5.62,;10.57,-4.72,;7.78,-1.92,;6.24,-1.92,;5.34,-3.17,;3.87,-2.69,;2.54,-3.46,;1.21,-2.69,;-.13,-3.46,;1.21,-1.15,;2.54,-.38,;3.87,-1.15,;5.34,-.67,;-.13,-.38,;-.13,1.16,;-1.46,1.93,;-2.8,1.16,;-2.8,-.38,;-1.46,-1.15,;-3.84,1.88,;-5.17,1.11,;-6.51,1.88,;-6.51,3.42,;-5.17,4.19,;-3.84,3.42,;-7.84,4.19,;-9.18,3.42,;-9.18,1.88,;-10.51,4.19,;-10.51,5.73,;-11.97,6.21,;-12.88,4.96,;-11.97,3.71,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	17	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