BDBM50472639 CHEMBL70596

SMILES: [Na;v0+].[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-c1ccc(-[#7]-[#6](=O)[C@@]([#6])([#8])C(F)(F)F)c(Cl)c1)-[#6](-[#8-])=O

InChI Key: InChIKey=DKKDMCGRULWRGJ-MNUGBEKZSA-M

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 = 50472639   

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 kinase (Homo sapiens (Human))	BDBM50472639 (CHEMBL70596) Show SMILES [Na;v0+].[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-c1ccc(-[#7]-[#6](=O)[C@@]([#6])([#8])C(F)(F)F)c(Cl)c1)-[#6](-[#8-])=O |r| Show InChI InChI=1S/C15H16ClF3N2O5.Na/c1-7(12(23)24)21(3)11(22)8-4-5-10(9(16)6-8)20-13(25)14(2,26)15(17,18)19;/h4-7,26H,1-3H3,(H,20,25)(H,23,24);/q;+1/p-1/t7-,14+;/m0./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay				J Med Chem 43: 2248-57 (2000) Article DOI: 10.1021/jm0000923 BindingDB Entry DOI: 10.7270/Q2C82D1Z
					More data for this Ligand-Target Pair