BDBM137949 US8871934, 542

SMILES: OCCn1cc(cn1)-c1cc(OCCC23CC4CC(CC(O)(C4)C2)C3)cc2c1-c1ccccc1C2(O)C(F)(F)F

InChI Key: InChIKey=WHIXUVRWYDCSOD-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 = 137949   

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))	BDBM137949 (US8871934, 542) Show SMILES OCCn1cc(cn1)-c1cc(OCCC23CC4CC(CC(O)(C4)C2)C3)cc2c1-c1ccccc1C2(O)C(F)(F)F |TLB:24:14:22:19.18.17,13:14:19:22.16.17,THB:24:18:22:14.15.23,15:14:19:22.16.17,15:16:19:14.24.23| Show InChI InChI=1S/C31H33F3N2O4/c32-31(33,34)30(39)25-4-2-1-3-23(25)27-24(21-16-35-36(17-21)6-7-37)10-22(11-26(27)30)40-8-5-28-12-19-9-20(13-28)15-29(38,14-19)18-28/h1-4,10-11,16-17,19-20,37-39H,5-9,12-15,18H2	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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