BDBM137955 US8871934, 548

SMILES: OCC1(CCCC1)n1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F

InChI Key: InChIKey=BAOOGUJSIDCOFR-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 = 137955   

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))	BDBM137955 (US8871934, 548) Show SMILES OCC1(CCCC1)n1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F Show InChI InChI=1S/C23H20F4N2O2/c24-15-9-17(14-11-28-29(12-14)21(13-30)7-3-4-8-21)20-16-5-1-2-6-18(16)22(31,19(20)10-15)23(25,26)27/h1-2,5-6,9-12,30-31H,3-4,7-8,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	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