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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Pyruvate dehydrogenase kinase 3 (PDK3)' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pyruvate dehydrogenase kinase 3 (PDK3)


(Homo sapiens (Human))
BDBM227593
PNG
(PS8)
Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C14H13NO5S/c16-11-2-1-9-7-15(8-10(9)5-11)21(19,20)14-4-3-12(17)6-13(14)18/h1-6,16-18H,7-8H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PDB
UniChem
AffyNet 
Article
PubMed
n/an/a 2.55E+3n/an/an/an/a7.525



University of Texas Southwestern Medical Center



Assay Description
To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase 3 (PDK3)


(Homo sapiens (Human))
BDBM50032655
PNG
(CHEMBL3354665)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)\C=C\c1noc(c1-c1ccc(O)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C29H26ClN3O6/c1-38-26-5-3-2-4-23(26)32-12-14-33(15-13-32)27(37)11-10-22-28(18-6-8-19(34)9-7-18)29(39-31-22)20-16-21(30)25(36)17-24(20)35/h2-11,16-17,34-36H,12-15H2,1H3/b11-10+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.34E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDHK3 (unknown origin) expressed in Escherichia coli incubated for 1 hr by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase 3 (PDK3)


(Homo sapiens (Human))
BDBM227593
PNG
(PS8)
Show SMILES Oc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C14H13NO5S/c16-11-2-1-9-7-15(8-10(9)5-11)21(19,20)14-4-3-12(17)6-13(14)18/h1-6,16-18H,7-8H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PDB
UniChem
AffyNet 
Article
PubMed
n/an/a 1.37E+4n/an/an/an/a7.525



University of Texas Southwestern Medical Center



Assay Description
To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase 3 (PDK3)


(Homo sapiens (Human))
BDBM227594
PNG
(PS10)
Show SMILES Oc1ccc(c(O)c1)S(=O)(=O)N1Cc2cc(O)cc(O)c2C1
Show InChI InChI=1S/C14H13NO6S/c16-9-1-2-14(13(19)4-9)22(20,21)15-6-8-3-10(17)5-12(18)11(8)7-15/h1-5,16-19H,6-7H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PDB
UniChem
AffyNet 
Article
PubMed
n/an/a 2.13E+4n/an/an/an/a7.525



University of Texas Southwestern Medical Center



Assay Description
To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase 3 (PDK3)


(Homo sapiens (Human))
BDBM50347503
PNG
(RADICICOL)
Show SMILES C[C@@H]1C[C@@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PDHK3 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair