BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'iwanaga' and Initial = 't'   
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311264
PNG
(4-(3-(4-methoxy-3-nitrophenyl)-1H-1,2,4-triazol-5-...)
Show SMILES COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C14H11N5O3/c1-22-12-3-2-10(8-11(12)19(20)21)14-16-13(17-18-14)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50254496
PNG
(4-(3-(4-isobutoxy-3-nitrophenyl)-1H-1,2,4-triazol-...)
Show SMILES CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C17H17N5O3/c1-11(2)10-25-15-4-3-13(9-14(15)22(23)24)17-19-16(20-21-17)12-5-7-18-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
[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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311262
PNG
(4-(3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazol-5-y...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C13H8ClN5O2/c14-10-2-1-9(7-11(10)19(20)21)13-16-12(17-18-13)8-3-5-15-6-4-8/h1-7H,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311266
PNG
(2-isobutoxy-5-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C18H17N5O/c1-12(2)11-24-16-4-3-14(9-15(16)10-19)18-21-17(22-23-18)13-5-7-20-8-6-13/h3-9,12H,11H2,1-2H3,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311275
PNG
(4-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)picolino...)
Show SMILES N#Cc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311279
PNG
(2-phenyl-4-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl...)
Show SMILES c1ccc(cc1)-c1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C18H13N5/c1-2-4-13(5-3-1)16-12-15(8-11-20-16)18-21-17(22-23-18)14-6-9-19-10-7-14/h1-12H,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311276
PNG
(2-chloro-4-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl...)
Show SMILES Clc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C12H8ClN5/c13-10-7-9(3-6-15-10)12-16-11(17-18-12)8-1-4-14-5-2-8/h1-7H,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311277
PNG
(2-bromo-4-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)...)
Show SMILES Brc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C12H8BrN5/c13-10-7-9(3-6-15-10)12-16-11(17-18-12)8-1-4-14-5-2-8/h1-7H,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50254554
PNG
(4-(3-(4-isobutoxy-3-nitrophenyl)-1H-1,2,4-triazol-...)
Show SMILES CC(C)COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccnc(C)c1
Show InChI InChI=1S/C18H19N5O3/c1-11(2)10-26-16-5-4-13(9-15(16)23(24)25)17-20-18(22-21-17)14-6-7-19-12(3)8-14/h4-9,11H,10H2,1-3H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311265
PNG
(4-(3-(4-methoxy-3-nitrophenyl)-1H-1,2,4-triazol-5-...)
Show SMILES COc1ccc(cc1[N+]([O-])=O)-c1nnc([nH]1)-c1ccnc(C)c1
Show InChI InChI=1S/C15H13N5O3/c1-9-7-11(5-6-16-9)15-17-14(18-19-15)10-3-4-13(23-2)12(8-10)20(21)22/h3-8H,1-2H3,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50254499
PNG
(2-isobutoxy-5-(5-(2-methylpyridin-4-yl)-1H-1,2,4-t...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccnc(C)c1
Show InChI InChI=1S/C19H19N5O/c1-12(2)11-25-17-5-4-14(9-16(17)10-20)18-22-19(24-23-18)15-6-7-21-13(3)8-15/h4-9,12H,11H2,1-3H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311274
PNG
(4,4'-(1H-1,2,4-triazole-3,5-diyl)dipicolinonitrile...)
Show SMILES N#Cc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(c1)C#N
Show InChI InChI=1S/C14H7N7/c15-7-11-5-9(1-3-17-11)13-19-14(21-20-13)10-2-4-18-12(6-10)8-16/h1-6H,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311285
PNG
(2-isobutoxy-5-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3...)
Show SMILES CC(C)COc1ccc(cn1)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C16H17N5O/c1-11(2)10-22-14-4-3-13(9-18-14)16-19-15(20-21-16)12-5-7-17-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311282
PNG
(2-methyl-4-(3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl...)
Show SMILES Cc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C13H11N5/c1-9-8-11(4-7-15-9)13-16-12(17-18-13)10-2-5-14-6-3-10/h2-8H,1H3,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311263
PNG
(4-(3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazol-5-y...)
Show SMILES Cc1cc(ccn1)-c1nnc([nH]1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10ClN5O2/c1-8-6-10(4-5-16-8)14-17-13(18-19-14)9-2-3-11(15)12(7-9)20(21)22/h2-7H,1H3,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50254503
PNG
(2-(2-(2-methoxyethoxy)ethoxy)-5-(3-(2-methylpyridi...)
Show SMILES COCCOCCOc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccnc(C)c1
Show InChI InChI=1S/C20H21N5O3/c1-14-11-16(5-6-22-14)20-23-19(24-25-20)15-3-4-18(17(12-15)13-21)28-10-9-27-8-7-26-2/h3-6,11-12H,7-10H2,1-2H3,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

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


TBA

Assay Description
Inhibition of URAT1 (unknown origin) transfected in dog MDCK cells assessed as inhibition of [14C]uric acid uptake by liquid scintillation counting m...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00176
BindingDB Entry DOI: 10.7270/Q2TQ6587
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 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
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50561689
PNG
(Dotinurad | Fyu-981)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(=O)N1CS(=O)(=O)c2ccccc12
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human URAT1 expressed in Xenopus laevis oocytes assessed as inhibition of [14C]uric acid uptake measured after 60 mins by liquid scinti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00176
BindingDB Entry DOI: 10.7270/Q2TQ6587
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311284
PNG
(5-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)picolino...)
Show SMILES N#Cc1ccc(cn1)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C13H8N6/c14-7-11-2-1-10(8-16-11)13-17-12(18-19-13)9-3-5-15-6-4-9/h1-6,8H,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311273
PNG
(4-(5-(2-chloropyridin-4-yl)-1H-1,2,4-triazol-3-yl)...)
Show SMILES Clc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(c1)C#N
Show InChI InChI=1S/C13H7ClN6/c14-11-6-9(2-4-17-11)13-18-12(19-20-13)8-1-3-16-10(5-8)7-15/h1-6H,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C9 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00176
BindingDB Entry DOI: 10.7270/Q2TQ6587
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C9 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127900
BindingDB Entry DOI: 10.7270/Q2P55S6N
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311272
PNG
(4-(3-(6-(isobutylthio)pyridin-3-yl)-1H-1,2,4-triaz...)
Show SMILES CC(C)CSc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(C)c1
Show InChI InChI=1S/C17H19N5S/c1-11(2)10-23-15-9-14(5-7-19-15)17-20-16(21-22-17)13-4-6-18-12(3)8-13/h4-9,11H,10H2,1-3H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311278
PNG
(2-fluoro-4-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl...)
Show SMILES Fc1cc(ccn1)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C12H8FN5/c13-10-7-9(3-6-15-10)12-16-11(17-18-12)8-1-4-14-5-2-8/h1-7H,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311270
PNG
(2-methyl-4-(5-(2-phenylpyridin-4-yl)-1H-1,2,4-tria...)
Show SMILES Cc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C19H15N5/c1-13-11-15(7-9-20-13)18-22-19(24-23-18)16-8-10-21-17(12-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311268
PNG
(4-(3-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl)...)
Show SMILES Cc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(c1)C#N
Show InChI InChI=1S/C14H10N6/c1-9-6-10(2-4-16-9)13-18-14(20-19-13)11-3-5-17-12(7-11)8-15/h2-7H,1H3,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311271
PNG
(2-isobutoxy-4-(3-(2-methylpyridin-4-yl)-1H-1,2,4-t...)
Show SMILES CC(C)COc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(C)c1
Show InChI InChI=1S/C17H19N5O/c1-11(2)10-23-15-9-14(5-7-19-15)17-20-16(21-22-17)13-4-6-18-12(3)8-13/h4-9,11H,10H2,1-3H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311267
PNG
(2-chloro-4-(3-(2-methylpyridin-4-yl)-1H-1,2,4-tria...)
Show SMILES Cc1cc(ccn1)-c1nnc([nH]1)-c1ccnc(Cl)c1
Show InChI InChI=1S/C13H10ClN5/c1-8-6-9(2-4-15-8)12-17-13(19-18-12)10-3-5-16-11(14)7-10/h2-7H,1H3,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50311281
PNG
(3,4'-(1H-1,2,4-triazole-3,5-diyl)dipyridine | CHEM...)
Show SMILES c1cncc(c1)-c1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C12H9N5/c1-2-10(8-14-5-1)12-15-11(16-17-12)9-3-6-13-7-4-9/h1-8H,(H,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Fuji Yakuhin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer


Bioorg Med Chem Lett 19: 6225-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.091
BindingDB Entry DOI: 10.7270/Q2XS5VHW
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 191 total )  |  Next  |  Last  >>
Jump to: