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BDBM50472841 CHEMBL443012

SMILES: C[C@@H]1CN([C@@H](C)CN1C(=O)C1CCCCC1)C(=O)[C@@](C)(O)C(F)(F)F

InChI Key: InChIKey=IFVNYUMVAGVLMH-BFQNTYOBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50472841   
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)		BDBM50472841
PNG
(CHEMBL443012)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)C1CCCCC1)C(=O)[C@@](C)(O)C(F)(F)F
Show InChI InChI=1S/C17H27F3N2O3/c1-11-10-22(15(24)16(3,25)17(18,19)20)12(2)9-21(11)14(23)13-7-5-4-6-8-13/h11-13,25H,4-10H2,1-3H3/t11-,12+,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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