BDBM50232919 CHEMBL4069290

SMILES: N[C@@H](CC(N)=O)C(=O)N1CCCN(CC1)c1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O

InChI Key: InChIKey=NQWTYSNNDRMMQI-IBGZPJMESA-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 = 50232919   

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))	BDBM50232919 (CHEMBL4069290) Show SMILES N[C@@H](CC(N)=O)C(=O)N1CCCN(CC1)c1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O |r| Show InChI InChI=1S/C23H29N5O6S/c24-19(12-22(25)31)23(32)27-7-1-6-26(8-9-27)17-3-2-15-13-28(14-16(15)10-17)35(33,34)21-5-4-18(29)11-20(21)30/h2-5,10-11,19,29-30H,1,6-9,12-14,24H2,(H2,25,31)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.51E+3	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