BindingDB logo
myBDB logout

BDBM50472813 CHEMBL80034

SMILES: C[C@@H]1CN(CCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(O)C(F)(F)F

InChI Key: InChIKey=DWNQJRRDAKFIKJ-RFAUZJTJSA-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 = 50472813   
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 (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Rattus norvegicus)		BDBM50472813
PNG
(CHEMBL80034)
Show SMILES C[C@@H]1CN(CCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(O)C(F)(F)F
Show InChI InChI=1S/C16H17Cl2F3N2O3/c1-9-8-22(14(25)15(2,26)16(19,20)21)3-4-23(9)13(24)10-5-11(17)7-12(18)6-10/h5-7,9,26H,3-4,8H2,1-2H3/t9-,15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.

J Med Chem 43: 236-49 (2000)


Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ
More data for this
Ligand-Target Pair