BDBM50472671 CHEMBL450618

SMILES: C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NS(=O)(=O)c1ccc(CCN)cc1)C(F)(F)F

InChI Key: InChIKey=NGUHGFKCQBKIGO-QGZVFWFLSA-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 = 50472671   

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))	BDBM50472671 (CHEMBL450618) Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NS(=O)(=O)c1ccc(CCN)cc1)C(F)(F)F Show InChI InChI=1S/C18H19ClF3N3O6S2/c1-17(27,18(20,21)22)16(26)24-15-7-6-13(10-14(15)19)33(30,31)25-32(28,29)12-4-2-11(3-5-12)8-9-23/h2-7,10,25,27H,8-9,23H2,1H3,(H,24,26)/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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