BDBM50472634 CHEMBL307687

SMILES: C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)N[C@@H](CCc1ccccc1)C(O)=O)C(F)(F)F

InChI Key: InChIKey=NAYKFOMEZLGWOU-OXJNMPFZSA-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 = 50472634   

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))	BDBM50472634 (CHEMBL307687) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)N[C@@H](CCc1ccccc1)C(O)=O)C(F)(F)F Show InChI InChI=1S/C21H20ClF3N2O5/c1-20(32,21(23,24)25)19(31)27-15-10-8-13(11-14(15)22)17(28)26-16(18(29)30)9-7-12-5-3-2-4-6-12/h2-6,8,10-11,16,32H,7,9H2,1H3,(H,26,28)(H,27,31)(H,29,30)/t16-,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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