BDBM50232925 CHEMBL4095603

SMILES: OC(=O)c1ccccc1C(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O

InChI Key: InChIKey=UFMLHDFXJPNILM-UHFFFAOYSA-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 = 50232925   

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))	BDBM50232925 (CHEMBL4095603) Show SMILES OC(=O)c1ccccc1C(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O Show InChI InChI=1S/C27H27N3O7S/c31-21-7-8-25(24(32)14-21)38(36,37)30-15-17-5-6-20(13-18(17)16-30)28-19-9-11-29(12-10-19)26(33)22-3-1-2-4-23(22)27(34)35/h1-8,13-14,19,28,31-32H,9-12,15-16H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	565	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