BDBM138069 US8871934, 662::US8871934, 667

SMILES: NC(=O)c1cc(cc2c1-c1ccccc1C2(O)C(F)(F)F)-c1cnn(CC2CCCCC2)c1

InChI Key: InChIKey=ADQPEHBIUNFIJT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 138069   

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))	BDBM138069 (US8871934, 662 | US8871934, 667) Show SMILES NC(=O)c1cc(cc2c1-c1ccccc1C2(O)C(F)(F)F)-c1cnn(CC2CCCCC2)c1 Show InChI InChI=1S/C25H24F3N3O2/c26-25(27,28)24(33)20-9-5-4-8-18(20)22-19(23(29)32)10-16(11-21(22)24)17-12-30-31(14-17)13-15-6-2-1-3-7-15/h4-5,8-12,14-15,33H,1-3,6-7,13H2,(H2,29,32)	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
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM138069 (US8871934, 662 | US8871934, 667) Show SMILES NC(=O)c1cc(cc2c1-c1ccccc1C2(O)C(F)(F)F)-c1cnn(CC2CCCCC2)c1 Show InChI InChI=1S/C25H24F3N3O2/c26-25(27,28)24(33)20-9-5-4-8-18(20)22-19(23(29)32)10-16(11-21(22)24)17-12-30-31(14-17)13-15-6-2-1-3-7-15/h4-5,8-12,14-15,33H,1-3,6-7,13H2,(H2,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	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