BDBM138071 US8871934, 664

SMILES: [#6]\[#6](-[#6])=[#6]/c1cc2c(-c3ccccc3C2([#8])C(F)(F)F)c(c1)-c1cnn(c1)-[#6](-[#6]-[#8])-[#6]-[#8]

InChI Key: InChIKey=QLFQBMDXKHYFGU-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 = 138071   

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))	BDBM138071 (US8871934, 664) Show SMILES [#6]\[#6](-[#6])=[#6]/c1cc2c(-c3ccccc3C2([#8])C(F)(F)F)c(c1)-c1cnn(c1)-[#6](-[#6]-[#8])-[#6]-[#8] Show InChI InChI=1S/C24H23F3N2O3/c1-14(2)7-15-8-19(16-10-28-29(11-16)17(12-30)13-31)22-18-5-3-4-6-20(18)23(32,21(22)9-15)24(25,26)27/h3-11,17,30-32H,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	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
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