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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'terasako' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/Host
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 (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587492
PNG
(CHEMBL5079107)
Show SMILES CC(C)C(NC(=O)CCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587502
PNG
(CHEMBL5079949)
Show SMILES Cc1nc(N2C[C@](Cc3ccccc3)(C[C@H]2CO)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587504
PNG
(CHEMBL5087040)
Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(O)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587505
PNG
(CHEMBL5072731)
Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587493
PNG
(CHEMBL5087238)
Show SMILES CC(C)C(CC(=O)NCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587503
PNG
(CHEMBL5089800)
Show SMILES CC[C@@H]1C[C@@H](CN1c1nc(C)nc2[nH]c3c(cccc3c12)C1CC1)c1ccc([nH]1)C(O)=O |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587504
PNG
(CHEMBL5087040)
Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(O)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587501
PNG
(CHEMBL5092915)
Show SMILES Cc1nc(N2C[C@](CO)(Cc3ccccc3)C[C@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587494
PNG
(CHEMBL5090085)
Show SMILES CC(C)[C@H](CC(=O)N[C@H](C)c1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587505
PNG
(CHEMBL5072731)
Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587492
PNG
(CHEMBL5079107)
Show SMILES CC(C)C(NC(=O)CCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587493
PNG
(CHEMBL5087238)
Show SMILES CC(C)C(CC(=O)NCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50236518
PNG
(CHEMBL3732469)
Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C25H20ClN3O3/c1-16-14-27-25(26)28-23(16)18-7-9-19(10-8-18)29(15-17-5-3-2-4-6-17)24(32)21-12-11-20(30)13-22(21)31/h2-14,30-31H,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50236530
PNG
(CHEMBL3727577)
Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK1 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587503
PNG
(CHEMBL5089800)
Show SMILES CC[C@@H]1C[C@@H](CN1c1nc(C)nc2[nH]c3c(cccc3c12)C1CC1)c1ccc([nH]1)C(O)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587490
PNG
(CHEMBL5080906)
Show SMILES CC(C)Cc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587494
PNG
(CHEMBL5090085)
Show SMILES CC(C)[C@H](CC(=O)N[C@H](C)c1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 62n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50236518
PNG
(CHEMBL3732469)
Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C25H20ClN3O3/c1-16-14-27-25(26)28-23(16)18-7-9-19(10-8-18)29(15-17-5-3-2-4-6-17)24(32)21-12-11-20(30)13-22(21)31/h2-14,30-31H,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK1 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587500
PNG
(CHEMBL5094437)
Show SMILES Cc1nc(N2C[C@H](Cc3ccccc3)C[C@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587491
PNG
(CHEMBL5092147)
Show SMILES CC(C)C(C)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587489
PNG
(CHEMBL5085080)
Show SMILES CCCc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 91n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587488
PNG
(CHEMBL5071248)
Show SMILES CC(C)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587487
PNG
(CHEMBL5078217)
Show SMILES CCc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587482
PNG
(CHEMBL5073515)
Show SMILES COC(=O)c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587502
PNG
(CHEMBL5079949)
Show SMILES Cc1nc(N2C[C@](Cc3ccccc3)(C[C@H]2CO)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587489
PNG
(CHEMBL5085080)
Show SMILES CCCc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 292n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587501
PNG
(CHEMBL5092915)
Show SMILES Cc1nc(N2C[C@](CO)(Cc3ccccc3)C[C@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 292n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50236518
PNG
(CHEMBL3732469)
Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C25H20ClN3O3/c1-16-14-27-25(26)28-23(16)18-7-9-19(10-8-18)29(15-17-5-3-2-4-6-17)24(32)21-12-11-20(30)13-22(21)31/h2-14,30-31H,15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587497
PNG
(CHEMBL5094187)
Show SMILES Cc1nc(N2CCC[C@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 352n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587490
PNG
(CHEMBL5080906)
Show SMILES CC(C)Cc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 462n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587485
PNG
(CHEMBL5083573)
Show SMILES Cc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587491
PNG
(CHEMBL5092147)
Show SMILES CC(C)C(C)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 494n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587488
PNG
(CHEMBL5071248)
Show SMILES CC(C)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 592n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587479
PNG
(CHEMBL5082649)
Show SMILES Cc1ncc2c(n1)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587496
PNG
(CHEMBL5075866)
Show SMILES CCC1CCCN1c1nc(C)nc2[nH]c3c(cccc3c12)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 758n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587499
PNG
(CHEMBL5082347)
Show SMILES Cc1nc(N2C[C@@H](C[C@H]2CO)c2ccccc2)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587500
PNG
(CHEMBL5094437)
Show SMILES Cc1nc(N2C[C@H](Cc3ccccc3)C[C@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587486
PNG
(CHEMBL5092161)
Show SMILES CCc1nnc(s1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.49E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587485
PNG
(CHEMBL5083573)
Show SMILES Cc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.51E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587484
PNG
(CHEMBL5074734)
Show SMILES Cc1nc2[nH]c3c(cccc3c2cc1-c1ccccn1)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.51E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587482
PNG
(CHEMBL5073515)
Show SMILES COC(=O)c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.54E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587480
PNG
(CHEMBL5093860)
Show SMILES Cc1ccc2c(n1)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2.03E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587487
PNG
(CHEMBL5078217)
Show SMILES CCc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587495
PNG
(CHEMBL5070430)
Show SMILES Cc1nc(N2CCCC2)c2c(n1)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.41E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587484
PNG
(CHEMBL5074734)
Show SMILES Cc1nc2[nH]c3c(cccc3c2cc1-c1ccccn1)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587497
PNG
(CHEMBL5094187)
Show SMILES Cc1nc(N2CCC[C@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.53E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587483
PNG
(CHEMBL5074396)
Show SMILES Cc1nc2[nH]c3c(cccc3c2cc1-c1ccccc1)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50587481
PNG
(CHEMBL5081612)
Show SMILES CNC(=O)c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.51E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50587479
PNG
(CHEMBL5082649)
Show SMILES Cc1ncc2c(n1)[nH]c1c(cccc21)C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.87E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK1 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial


(Homo sapiens (Human))
BDBM50587486
PNG
(CHEMBL5092161)
Show SMILES CCc1nnc(s1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.62E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116514
BindingDB Entry DOI: 10.7270/Q20K2DGG
More data for this
Ligand-Target Pair
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