BDBM50232921 CHEMBL4080620

SMILES: Oc1ccc(c(O)c1)S(=O)(=O)N1Cc2ccc(NC3CCN(Cc4ccccc4)CC3)cc2C1

InChI Key: InChIKey=ZSHNEFXZTSADHI-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 = 50232921   

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))	BDBM50232921 (CHEMBL4080620) Show SMILES Oc1ccc(c(O)c1)S(=O)(=O)N1Cc2ccc(NC3CCN(Cc4ccccc4)CC3)cc2C1 Show InChI InChI=1S/C26H29N3O4S/c30-24-8-9-26(25(31)15-24)34(32,33)29-17-20-6-7-23(14-21(20)18-29)27-22-10-12-28(13-11-22)16-19-4-2-1-3-5-19/h1-9,14-15,22,27,30-31H,10-13,16-18H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	416	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