BDBM50232917 CHEMBL4104250

SMILES: N[C@@H](CC(N)=O)C(=O)N1CC[C@H](C1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O

InChI Key: InChIKey=HTAXKHSQCRXBDZ-AEFFLSMTSA-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 = 50232917   

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 2, mitochondrial (Homo sapiens (Human))	BDBM50232917 (CHEMBL4104250) Show SMILES N[C@@H](CC(N)=O)C(=O)N1CC[C@H](C1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O |r| Show InChI InChI=1S/C22H27N5O6S/c23-18(9-21(24)30)22(31)26-6-5-16(12-26)25-15-2-1-13-10-27(11-14(13)7-15)34(32,33)20-4-3-17(28)8-19(20)29/h1-4,7-8,16,18,25,28-29H,5-6,9-12,23H2,(H2,24,30)/t16-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Science Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-SUMO tagged recombinant human PDK2 using [32P]-gamma-ATP assessed as decrease in incorporation of radioactivity into E1...				J Med Chem 60: 1142-1150 (2017) BindingDB Entry DOI: 10.7270/Q2BP0514
					More data for this Ligand-Target Pair