BDBM50232912 CHEMBL4104843

SMILES: N[C@@H](CO)C(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O

InChI Key: InChIKey=WWSXTSFFSSZGDH-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 = 50232912   

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))	BDBM50232912 (CHEMBL4104843) Show SMILES N[C@@H](CO)C(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O |r| Show InChI InChI=1S/C22H28N4O6S/c23-19(13-27)22(30)25-7-5-16(6-8-25)24-17-2-1-14-11-26(12-15(14)9-17)33(31,32)21-4-3-18(28)10-20(21)29/h1-4,9-10,16,19,24,27-29H,5-8,11-13,23H2/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	68	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