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1 similar compounds to monomer 50232898

Compile data set for download or QSAR
Wt: 547.6
BDBM50232910

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50232910   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM50232910
PNG
(CHEMBL4097134)
Show SMILES O[C@@H]1CC(C[C@@H](O)[C@H]1O)C(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C26H33N3O8S/c30-20-3-4-24(21(31)12-20)38(36,37)29-13-15-1-2-19(9-17(15)14-29)27-18-5-7-28(8-6-18)26(35)16-10-22(32)25(34)23(33)11-16/h1-4,9,12,16,18,22-23,25,27,30-34H,5-8,10-11,13-14H2/t16?,22-,23-,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 432n/an/an/an/an/an/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)


Article DOI: 10.1021/acs.jmedchem.6b01540
More data for this
Ligand-Target Pair