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BDBM50032657 CHEMBL3354663

SMILES: COc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)noc1-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=CONHCIJQLZAEDT-CMDGGOBGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50032657   
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 1, mitochondrial


(Homo sapiens (Human))		BDBM50032657
PNG
(CHEMBL3354663)
Show SMILES COc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)noc1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C29H24Cl3N3O5/c1-39-19-5-2-17(3-6-19)28-24(33-40-29(28)20-15-23(32)26(37)16-25(20)36)8-9-27(38)35-12-10-34(11-13-35)18-4-7-21(30)22(31)14-18/h2-9,14-16,36-37H,10-13H2,1H3/b9-8+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.31E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDHK1 (unknown origin) expressed in Escherichia coli incubated for 1 hr by ELISA

J Med Chem 57: 9832-43 (2014)


Article DOI: 10.1021/jm5010144
BindingDB Entry DOI: 10.7270/Q2P270R1
More data for this
Ligand-Target Pair