BDBM50472825 CHEMBL81574

SMILES: COC(=O)c1ccc(cc1)C(=O)N1C[C@H](C)N(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F

InChI Key: InChIKey=PYKLJRYDQFJXIL-FTLABTOESA-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 = 50472825   

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 4, mitochondrial (Rattus norvegicus)	BDBM50472825 (CHEMBL81574) Show SMILES COC(=O)c1ccc(cc1)C(=O)N1C[C@H](C)N(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C19H23F3N2O5/c1-11-10-24(17(27)18(3,28)19(20,21)22)12(2)9-23(11)15(25)13-5-7-14(8-6-13)16(26)29-4/h5-8,11-12,28H,9-10H2,1-4H3/t11-,12+,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.				J Med Chem 43: 236-49 (2000) Article DOI: 10.1021/jm990358+ BindingDB Entry DOI: 10.7270/Q2B85BVQ
					More data for this Ligand-Target Pair