Found 35 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032682
(CHEMBL3354654)Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2noc(c2-c2ccc(OC)cc2)-c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C30H30ClN3O6/c1-38-21-7-3-18(4-8-21)17-34-13-11-20(12-14-34)32-30(37)28-27(19-5-9-22(39-2)10-6-19)29(40-33-28)23-15-24(31)26(36)16-25(23)35/h3-10,15-16,20,35-36H,11-14,17H2,1-2H3,(H,32,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032689
(CHEMBL3354227)Show SMILES COc1ccc(cc1)-c1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C29H28ClN3O5/c1-37-21-9-7-19(8-10-21)26-27(32-38-28(26)22-15-23(30)25(35)16-24(22)34)29(36)31-20-11-13-33(14-12-20)17-18-5-3-2-4-6-18/h2-10,15-16,20,34-35H,11-14,17H2,1H3,(H,31,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032680
(CHEMBL3354656)Show SMILES COc1ccc(cc1)-c1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)NC1CCN(CC2CC2)CC1 Show InChI InChI=1S/C26H28ClN3O5/c1-34-18-6-4-16(5-7-18)23-24(29-35-25(23)19-12-20(27)22(32)13-21(19)31)26(33)28-17-8-10-30(11-9-17)14-15-2-3-15/h4-7,12-13,15,17,31-32H,2-3,8-11,14H2,1H3,(H,28,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032684
(CHEMBL3354652)Show SMILES COc1ccc(cc1)-c1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)NC1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C28H27ClN4O5/c1-37-20-4-2-18(3-5-20)25-26(32-38-27(25)21-14-22(29)24(35)15-23(21)34)28(36)31-19-8-12-33(13-9-19)16-17-6-10-30-11-7-17/h2-7,10-11,14-15,19,34-35H,8-9,12-13,16H2,1H3,(H,31,36) | PDB
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032681
(CHEMBL3354655)Show SMILES COc1ccc(cc1)-c1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)NC1CCN(CC(C)C)CC1 Show InChI InChI=1S/C26H30ClN3O5/c1-15(2)14-30-10-8-17(9-11-30)28-26(33)24-23(16-4-6-18(34-3)7-5-16)25(35-29-24)19-12-20(27)22(32)13-21(19)31/h4-7,12-13,15,17,31-32H,8-11,14H2,1-3H3,(H,28,33) | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032686
(CHEMBL3354650)Show SMILES COc1ccc(cc1)-c1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)NC1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C23H24ClN3O7S/c1-33-15-5-3-13(4-6-15)20-21(23(30)25-14-7-9-27(10-8-14)35(2,31)32)26-34-22(20)16-11-17(24)19(29)12-18(16)28/h3-6,11-12,14,28-29H,7-10H2,1-2H3,(H,25,30) | PDB
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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032685
(CHEMBL3354651)Show SMILES CCNC(=O)N1CCC(CC1)NC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H27ClN4O6/c1-3-27-25(34)30-10-8-15(9-11-30)28-24(33)22-21(14-4-6-16(35-2)7-5-14)23(36-29-22)17-12-18(26)20(32)13-19(17)31/h4-7,12-13,15,31-32H,3,8-11H2,1-2H3,(H,27,34)(H,28,33) | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032683
(CHEMBL3354653)Show SMILES COc1ccc(cc1)-c1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)NC1CCN(Cc2ccc(Cl)cc2Cl)CC1 Show InChI InChI=1S/C29H26Cl3N3O5/c1-39-20-6-3-16(4-7-20)26-27(34-40-28(26)21-13-23(32)25(37)14-24(21)36)29(38)33-19-8-10-35(11-9-19)15-17-2-5-18(30)12-22(17)31/h2-7,12-14,19,36-37H,8-11,15H2,1H3,(H,33,38) | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032687
(CHEMBL3354229)Show SMILES COc1ccc(cc1)-c1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)NC1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H24ClN3O6/c1-13(29)28-9-7-15(8-10-28)26-24(32)22-21(14-3-5-16(33-2)6-4-14)23(34-27-22)17-11-18(25)20(31)12-19(17)30/h3-6,11-12,15,30-31H,7-10H2,1-2H3,(H,26,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032691
(CHEMBL3354225)Show SMILES COc1ccc(cc1)-c1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)Nc1ccc(cc1)N(C)C Show InChI InChI=1S/C25H22ClN3O5/c1-29(2)16-8-6-15(7-9-16)27-25(32)23-22(14-4-10-17(33-3)11-5-14)24(34-28-23)18-12-19(26)21(31)13-20(18)30/h4-13,30-31H,1-3H3,(H,27,32) | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032660
(CHEMBL3354660)Show SMILES COc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2cccc(OC)c2)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C30H28ClN3O6/c1-38-21-8-6-19(7-9-21)29-25(32-40-30(29)23-17-24(31)27(36)18-26(23)35)10-11-28(37)34-14-12-33(13-15-34)20-4-3-5-22(16-20)39-2/h3-11,16-18,35-36H,12-15H2,1-2H3/b11-10+ | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 491 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032650
(CHEMBL3354669)Show SMILES Oc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ncccn2)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C26H22ClN5O5/c27-19-14-18(21(34)15-22(19)35)25-24(16-2-4-17(33)5-3-16)20(30-37-25)6-7-23(36)31-10-12-32(13-11-31)26-28-8-1-9-29-26/h1-9,14-15,33-35H,10-13H2/b7-6+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 521 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032661
(CHEMBL3354659)Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)\C=C\c1noc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C30H28ClN3O6/c1-38-21-7-3-19(4-8-21)29-25(32-40-30(29)23-17-24(31)27(36)18-26(23)35)11-12-28(37)34-15-13-33(14-16-34)20-5-9-22(39-2)10-6-20/h3-12,17-18,35-36H,13-16H2,1-2H3/b12-11+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 557 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032690
(CHEMBL3354226)Show SMILES COc1ccc(cc1)-c1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)Nc1ccncc1 Show InChI InChI=1S/C22H16ClN3O5/c1-30-14-4-2-12(3-5-14)19-20(22(29)25-13-6-8-24-9-7-13)26-31-21(19)15-10-16(23)18(28)11-17(15)27/h2-11,27-28H,1H3,(H,24,25,29) | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032655
(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+ | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 604 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032692
(CHEMBL3354224)Show SMILES COc1ccc(cc1)-c1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H17Cl3N2O5/c1-33-15-6-3-12(4-7-15)21-22(24(32)28-11-13-2-5-14(25)8-17(13)26)29-34-23(21)16-9-18(27)20(31)10-19(16)30/h2-10,30-31H,11H2,1H3,(H,28,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032653
(CHEMBL3354667)Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)\C=C\c1noc(c1-c1ccc(O)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C29H26ClN3O6/c1-38-21-4-2-3-19(15-21)32-11-13-33(14-12-32)27(37)10-9-24-28(18-5-7-20(34)8-6-18)29(39-31-24)22-16-23(30)26(36)17-25(22)35/h2-10,15-17,34-36H,11-14H2,1H3/b10-9+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032678
(CHEMBL3354658)Show SMILES COc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ccccc2OC)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C30H28ClN3O6/c1-38-20-9-7-19(8-10-20)29-23(32-40-30(29)21-17-22(31)26(36)18-25(21)35)11-12-28(37)34-15-13-33(14-16-34)24-5-3-4-6-27(24)39-2/h3-12,17-18,35-36H,13-16H2,1-2H3/b12-11+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 845 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032652
(CHEMBL3354668)Show SMILES Oc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ccccn2)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C27H23ClN4O5/c28-20-15-19(22(34)16-23(20)35)27-26(17-4-6-18(33)7-5-17)21(30-37-27)8-9-25(36)32-13-11-31(12-14-32)24-3-1-2-10-29-24/h1-10,15-16,33-35H,11-14H2/b9-8+ | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 878 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032654
(CHEMBL3354666)Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)\C=C\c1noc(c1-c1ccc(O)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C29H26ClN3O6/c1-38-21-8-4-19(5-9-21)32-12-14-33(15-13-32)27(37)11-10-24-28(18-2-6-20(34)7-3-18)29(39-31-24)22-16-23(30)26(36)17-25(22)35/h2-11,16-17,34-36H,12-15H2,1H3/b11-10+ | PDB
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antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 952 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032659
(CHEMBL3354661)Show SMILES COc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ccccn2)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C28H25ClN4O5/c1-37-19-7-5-18(6-8-19)27-22(31-38-28(27)20-16-21(29)24(35)17-23(20)34)9-10-26(36)33-14-12-32(13-15-33)25-4-2-3-11-30-25/h2-11,16-17,34-35H,12-15H2,1H3/b10-9+ | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032658
(CHEMBL3354662)Show SMILES COc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ncccn2)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C27H24ClN5O5/c1-37-18-5-3-17(4-6-18)25-21(31-38-26(25)19-15-20(28)23(35)16-22(19)34)7-8-24(36)32-11-13-33(14-12-32)27-29-9-2-10-30-27/h2-10,15-16,34-35H,11-14H2,1H3/b8-7+ | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
(Homo sapiens (Human)) | BDBM50032655
(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+ | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PDHK2 (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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032649
(CHEMBL3354670)Show SMILES Oc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C28H22Cl3N3O5/c29-20-6-3-17(13-21(20)30)33-9-11-34(12-10-33)26(38)8-7-23-27(16-1-4-18(35)5-2-16)28(39-32-23)19-14-22(31)25(37)15-24(19)36/h1-8,13-15,35-37H,9-12H2/b8-7+ | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Homo sapiens (Human)) | BDBM50032655
(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+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PDHK4 (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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032679
(CHEMBL3354657)Show SMILES COc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ccccc2)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C29H26ClN3O5/c1-37-21-9-7-19(8-10-21)28-24(31-38-29(28)22-17-23(30)26(35)18-25(22)34)11-12-27(36)33-15-13-32(14-16-33)20-5-3-2-4-6-20/h2-12,17-18,34-35H,13-16H2,1H3/b12-11+ | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032656
(CHEMBL3354664)Show SMILES COc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C30H25ClF3N3O5/c1-41-21-7-5-18(6-8-21)28-24(35-42-29(28)22-16-23(31)26(39)17-25(22)38)9-10-27(40)37-13-11-36(12-14-37)20-4-2-3-19(15-20)30(32,33)34/h2-10,15-17,38-39H,11-14H2,1H3/b10-9+ | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032648
(CHEMBL3354671)Show SMILES Oc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C29H23ClF3N3O5/c30-22-15-21(24(38)16-25(22)39)28-27(17-4-6-20(37)7-5-17)23(34-41-28)8-9-26(40)36-12-10-35(11-13-36)19-3-1-2-18(14-19)29(31,32)33/h1-9,14-16,37-39H,10-13H2/b9-8+ | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032657
(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
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.31E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial
(Homo sapiens (Human)) | BDBM50032655
(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+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.34E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50032688
(CHEMBL3354228)Show SMILES COc1ccc(cc1)-c1c(noc1-c1cc(Cl)c(O)cc1O)C(=O)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C29H27ClN2O5/c1-36-21-9-7-20(8-10-21)26-27(31-37-28(26)22-16-23(30)25(34)17-24(22)33)29(35)32-13-11-19(12-14-32)15-18-5-3-2-4-6-18/h2-10,16-17,19,33-34H,11-15H2,1H3 | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM20928
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H33N3O4/c1-4-28-27(33)25-24(19-10-8-18(9-11-19)16-30-12-6-5-7-13-30)26(34-29-25)21-14-20(17(2)3)22(31)15-23(21)32/h8-11,14-15,17,31-32H,4-7,12-13,16H2,1-3H3,(H,28,33) | PDB
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PubMed
| n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PDHK1 (unknown origin) |
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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial
(Homo sapiens (Human)) | BDBM50347503
(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 |r,w:9.10,7.8| 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 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PDHK3 (unknown origin) |
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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50347503
(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 |r,w:9.10,7.8| 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 | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PDHK1 (unknown origin) |
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 | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM15365
(3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-meth...)Show InChI InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19) | PDB
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PC cid
PC sid
PDB
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| Article
PubMed
| n/a | n/a | 6.48E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PDHK1 (unknown origin) |
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 | |
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