BDBM50472317 CHEMBL83151

SMILES: C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(F)(F)F

InChI Key: InChIKey=XHARJGLVZRCTDV-OAHLLOKOSA-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 = 50472317   

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)	BDBM50472317 (CHEMBL83151) Show SMILES C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C16H16F3N3O3/c1-15(25,16(17,18)19)14(24)22-8-6-21(7-9-22)13(23)12-4-2-11(10-20)3-5-12/h2-5,25H,6-9H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	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
Pyruvate dehydrogenase kinase (Homo sapiens (Human))	BDBM50472317 (CHEMBL83151) Show SMILES C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C16H16F3N3O3/c1-15(25,16(17,18)19)14(24)22-8-6-21(7-9-22)13(23)12-4-2-11(10-20)3-5-12/h2-5,25H,6-9H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay				J Med Chem 42: 2741-6 (1999) Article DOI: 10.1021/jm9902584 BindingDB Entry DOI: 10.7270/Q2G73HG0
					More data for this Ligand-Target Pair