BDBM137884 US8871934, 477

SMILES: NC(=O)COc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1

InChI Key: InChIKey=BSWRFBYMVXLGJS-UHFFFAOYSA-N

Data: 1 IC50

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 = 137884   

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
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137884 (US8871934, 477) Show SMILES NC(=O)COc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1 Show InChI InChI=1S/C21H18F3N3O4/c22-21(23,24)20(30)16-4-2-1-3-14(16)19-15(12-9-26-27(10-12)5-6-28)7-13(8-17(19)20)31-11-18(25)29/h1-4,7-10,28,30H,5-6,11H2,(H2,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair