Found 207 hits with Last Name = 'islam' and Initial = 'a' 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 |
|---|
Calcium/calmodulin-dependent protein kinase type IV [15-340]
(Homo sapiens (Human)) | BDBM223209
(8-((6-Chloropyrimidin-4-yl)oxy)quinoline (Compound...)Show InChI InChI=1S/C13H8ClN3O/c14-11-7-12(17-8-16-11)18-10-5-1-3-9-4-2-6-15-13(9)10/h1-8H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
B.R. Ambedkar Bihar University
| Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi... |
Chem Biol Drug Des 89: 741-754 (2017)
Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type IV [15-340]
(Homo sapiens (Human)) | BDBM223208
(7-((6-((5-Methoxy-1H-benzo[d]imidazol-2-yl)thio)py...)Show SMILES COc1ccc2[nH]c(Sc3cc(Oc4ccc5c(C)cc(=O)oc5c4)ncn3)nc2c1 Show InChI InChI=1S/C22H16N4O4S/c1-12-7-21(27)30-18-9-14(3-5-15(12)18)29-19-10-20(24-11-23-19)31-22-25-16-6-4-13(28-2)8-17(16)26-22/h3-11H,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
B.R. Ambedkar Bihar University
| Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi... |
Chem Biol Drug Des 89: 741-754 (2017)
Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type IV [15-340]
(Homo sapiens (Human)) | BDBM223207
(4-Methyl-7-((6-(quinolin-8-yloxy)pyrimidin-4-yl)ox...)Show SMILES Cc1cc(=O)oc2cc(Oc3cc(Oc4cccc5cccnc45)ncn3)ccc12 Show InChI InChI=1S/C23H15N3O4/c1-14-10-22(27)30-19-11-16(7-8-17(14)19)28-20-12-21(26-13-25-20)29-18-6-2-4-15-5-3-9-24-23(15)18/h2-13H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
B.R. Ambedkar Bihar University
| Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi... |
Chem Biol Drug Des 89: 741-754 (2017)
Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type IV [15-340]
(Homo sapiens (Human)) | BDBM223206
(7-[(6-Chloropyrimidin-4-yl)oxy]-4-methyl-2H-chrome...)Show InChI InChI=1S/C14H9ClN2O3/c1-8-4-14(18)20-11-5-9(2-3-10(8)11)19-13-6-12(15)16-7-17-13/h2-7H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
B.R. Ambedkar Bihar University
| Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi... |
Chem Biol Drug Des 89: 741-754 (2017)
Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type IV [15-340]
(Homo sapiens (Human)) | BDBM223205
(6-((5-Methoxy-1H-benzo[d]imidazol-2-yl)thio)-N-(4-...)Show SMILES COc1ccc(Nc2cc(Sc3nc4cc(OC)ccc4[nH]3)ncn2)cc1 Show InChI InChI=1S/C19H17N5O2S/c1-25-13-5-3-12(4-6-13)22-17-10-18(21-11-20-17)27-19-23-15-8-7-14(26-2)9-16(15)24-19/h3-11H,1-2H3,(H,23,24)(H,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
B.R. Ambedkar Bihar University
| Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi... |
Chem Biol Drug Des 89: 741-754 (2017)
Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type IV [15-340]
(Homo sapiens (Human)) | BDBM223204
(8-((6-((5-Methoxy-1H-benzo[d]imidazol-2-yl)thio)py...)Show SMILES COc1ccc2[nH]c(Sc3cc(Oc4cccc5cccnc45)ncn3)nc2c1 Show InChI InChI=1S/C21H15N5O2S/c1-27-14-7-8-15-16(10-14)26-21(25-15)29-19-11-18(23-12-24-19)28-17-6-2-4-13-5-3-9-22-20(13)17/h2-12H,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
B.R. Ambedkar Bihar University
| Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi... |
Chem Biol Drug Des 89: 741-754 (2017)
Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type IV [15-340]
(Homo sapiens (Human)) | BDBM223203
(8-((6-(Naphthalen-2-yloxy)pyrimidin-4-yl)oxy)quino...)Show InChI InChI=1S/C23H15N3O2/c1-2-6-18-13-19(11-10-16(18)5-1)27-21-14-22(26-15-25-21)28-20-9-3-7-17-8-4-12-24-23(17)20/h1-15H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.67E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
B.R. Ambedkar Bihar University
| Assay Description
The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physi... |
Chem Biol Drug Des 89: 741-754 (2017)
Article DOI: 10.1111/cbdd.12898
BindingDB Entry DOI: 10.7270/Q28C9V30 |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472804
(CHEMBL83273)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H19Cl2F3N2O3/c1-9-8-24(15(26)16(3,27)17(20,21)22)10(2)7-23(9)14(25)11-4-12(18)6-13(19)5-11/h4-6,9-10,27H,7-8H2,1-3H3/t9-,10+,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472836
(CHEMBL311125)Show SMILES C[C@H]1CN([C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H23F3N2O4S/c1-13-12-25(14(2)11-24(13)18(26)19(3,27)20(21,22)23)30(28,29)17-10-6-8-15-7-4-5-9-16(15)17/h4-10,13-14,27H,11-12H2,1-3H3/t13-,14+,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472713
(CHEMBL73068)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCC1CC1)C(F)(F)F Show InChI InChI=1S/C14H16ClF3N2O4S/c1-13(22,14(16,17)18)12(21)20-11-5-4-9(6-10(11)15)25(23,24)19-7-8-2-3-8/h4-6,8,19,22H,2-3,7H2,1H3,(H,20,21)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472668
(CHEMBL74582)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCC=C)C(F)(F)F Show InChI InChI=1S/C13H14ClF3N2O4S/c1-3-6-18-24(22,23)8-4-5-10(9(14)7-8)19-11(20)12(2,21)13(15,16)17/h3-5,7,18,21H,1,6H2,2H3,(H,19,20)/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472648
(CHEMBL73204)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NC1CCCC(N)C1)C(F)(F)F Show InChI InChI=1S/C16H21ClF3N3O4S/c1-15(25,16(18,19)20)14(24)22-13-6-5-11(8-12(13)17)28(26,27)23-10-4-2-3-9(21)7-10/h5-6,8-10,23,25H,2-4,7,21H2,1H3,(H,22,24)/t9?,10?,15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472839
(CHEMBL3349325)Show SMILES C[C@@H]1CN([C@@H](C)CN1\C(Oc1ccccc1)=N\C#N)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C18H21F3N4O3/c1-12-10-25(16(23-11-22)28-14-7-5-4-6-8-14)13(2)9-24(12)15(26)17(3,27)18(19,20)21/h4-8,12-13,27H,9-10H2,1-3H3/b23-16-/t12-,13+,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472670
(CHEMBL75821)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCN1CCOCC1)C(F)(F)F Show InChI InChI=1S/C16H21ClF3N3O5S/c1-15(25,16(18,19)20)14(24)22-13-3-2-11(10-12(13)17)29(26,27)21-4-5-23-6-8-28-9-7-23/h2-3,10,21,25H,4-9H2,1H3,(H,22,24)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472841
(CHEMBL443012)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)C1CCCCC1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H27F3N2O3/c1-11-10-22(15(24)16(3,25)17(18,19)20)12(2)9-21(11)14(23)13-7-5-4-6-8-13/h11-13,25H,4-10H2,1-3H3/t11-,12+,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472647
(CHEMBL73099)Show SMILES CC(C)CNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C14H18ClF3N2O4S/c1-8(2)7-19-25(23,24)9-4-5-11(10(15)6-9)20-12(21)13(3,22)14(16,17)18/h4-6,8,19,22H,7H2,1-3H3,(H,20,21)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472793
(CHEMBL313878)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C18H23F3N2O4/c1-12-10-23(16(25)27-11-14-7-5-4-6-8-14)13(2)9-22(12)15(24)17(3,26)18(19,20)21/h4-8,12-13,26H,9-11H2,1-3H3/t12-,13+,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472634
(CHEMBL307687)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)N[C@@H](CCc1ccccc1)C(O)=O)C(F)(F)F Show InChI InChI=1S/C21H20ClF3N2O5/c1-20(32,21(23,24)25)19(31)27-15-10-8-13(11-14(15)22)17(28)26-16(18(29)30)9-7-12-5-3-2-4-6-12/h2-6,8,10-11,16,32H,7,9H2,1H3,(H,26,28)(H,27,31)(H,29,30)/t16-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472654
(CHEMBL75507)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCCN1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C17H21ClF3N3O5S/c1-16(27,17(19,20)21)15(26)23-13-6-5-11(10-12(13)18)30(28,29)22-7-3-9-24-8-2-4-14(24)25/h5-6,10,22,27H,2-4,7-9H2,1H3,(H,23,26)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472671
(CHEMBL450618)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NS(=O)(=O)c1ccc(CCN)cc1)C(F)(F)F Show InChI InChI=1S/C18H19ClF3N3O6S2/c1-17(27,18(20,21)22)16(26)24-15-7-6-13(10-14(15)19)33(30,31)25-32(28,29)12-4-2-11(3-5-12)8-9-23/h2-7,10,25,27H,8-9,23H2,1H3,(H,24,26)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50236533
(CHEMBL316388)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N3O3/c1-11-10-24(16(26)17(3,27)18(19,20)21)12(2)9-23(11)15(25)14-6-4-13(8-22)5-7-14/h4-7,11-12,27H,9-10H2,1-3H3/t11-,12+,17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50236533
(CHEMBL316388)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N3O3/c1-11-10-24(16(26)17(3,27)18(19,20)21)12(2)9-23(11)15(25)14-6-4-13(8-22)5-7-14/h4-7,11-12,27H,9-10H2,1-3H3/t11-,12+,17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay |
J Med Chem 42: 2741-6 (1999)
Article DOI: 10.1021/jm9902584
BindingDB Entry DOI: 10.7270/Q2G73HG0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472825
(CHEMBL81574)Show SMILES COC(=O)c1ccc(cc1)C(=O)N1C[C@H](C)N(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C19H23F3N2O5/c1-11-10-24(17(27)18(3,28)19(20,21)22)12(2)9-23(11)15(25)13-5-7-14(8-6-13)16(26)29-4/h5-8,11-12,28H,9-10H2,1-4H3/t11-,12+,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472692
(CHEMBL306972)Show SMILES CCOCCCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C15H20ClF3N2O5S/c1-3-26-8-4-7-20-27(24,25)10-5-6-12(11(16)9-10)21-13(22)14(2,23)15(17,18)19/h5-6,9,20,23H,3-4,7-8H2,1-2H3,(H,21,22)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472676
(CHEMBL72298)Show SMILES CC(C)(C)CCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C16H22ClF3N2O4S/c1-14(2,3)7-8-21-27(25,26)10-5-6-12(11(17)9-10)22-13(23)15(4,24)16(18,19)20/h5-6,9,21,24H,7-8H2,1-4H3,(H,22,23)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472697
(CHEMBL308151)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCc1ccccn1)C(F)(F)F Show InChI InChI=1S/C16H15ClF3N3O4S/c1-15(25,16(18,19)20)14(24)23-13-6-5-11(8-12(13)17)28(26,27)22-9-10-4-2-3-7-21-10/h2-8,22,25H,9H2,1H3,(H,23,24)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472811
(CHEMBL310879)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C24H25F3N2O4/c1-15-14-29(22(32)23(3,33)24(25,26)27)16(2)13-28(15)21(31)19-11-9-18(10-12-19)20(30)17-7-5-4-6-8-17/h4-12,15-16,33H,13-14H2,1-3H3/t15-,16+,23-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472310
(CHEMBL84231)Show SMILES C[C@@H]1CN(CCN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H21F3N2O4/c1-12-10-21(14(23)16(2,25)17(18,19)20)8-9-22(12)15(24)26-11-13-6-4-3-5-7-13/h3-7,12,25H,8-11H2,1-2H3/t12-,16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay |
J Med Chem 42: 2741-6 (1999)
Article DOI: 10.1021/jm9902584
BindingDB Entry DOI: 10.7270/Q2G73HG0 |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472310
(CHEMBL84231)Show SMILES C[C@@H]1CN(CCN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H21F3N2O4/c1-12-10-21(14(23)16(2,25)17(18,19)20)8-9-22(12)15(24)26-11-13-6-4-3-5-7-13/h3-7,12,25H,8-11H2,1-2H3/t12-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472718
(CHEMBL72567)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCC(N)C1)C(F)(F)F Show InChI InChI=1S/C14H17ClF3N3O4S/c1-13(23,14(16,17)18)12(22)20-11-3-2-9(6-10(11)15)26(24,25)21-5-4-8(19)7-21/h2-3,6,8,23H,4-5,7,19H2,1H3,(H,20,22)/t8?,13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472831
(CHEMBL84271)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc2ccccc12)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O4S/c1-13-12-23(17(25)18(2,26)19(20,21)22)10-11-24(13)29(27,28)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,26H,10-12H2,1-2H3/t13-,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472813
(CHEMBL80034)Show SMILES C[C@@H]1CN(CCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C16H17Cl2F3N2O3/c1-9-8-22(14(25)15(2,26)16(19,20)21)3-4-23(9)13(24)10-5-11(17)7-12(18)6-10/h5-7,9,26H,3-4,8H2,1-2H3/t9-,15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472699
(CHEMBL306835)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCCO)C(F)(F)F Show InChI InChI=1S/C13H16ClF3N2O5S/c1-12(22,13(15,16)17)11(21)19-10-4-3-8(7-9(10)14)25(23,24)18-5-2-6-20/h3-4,7,18,20,22H,2,5-6H2,1H3,(H,19,21)/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472637
(CHEMBL73551)Show SMILES CN(C)CCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C14H19ClF3N3O4S/c1-13(23,14(16,17)18)12(22)20-11-5-4-9(8-10(11)15)26(24,25)19-6-7-21(2)3/h4-5,8,19,23H,6-7H2,1-3H3,(H,20,22)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472797
(CHEMBL419846)Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C23H23F3N2O4/c1-15-14-27(21(31)22(2,32)23(24,25)26)12-13-28(15)20(30)18-10-8-17(9-11-18)19(29)16-6-4-3-5-7-16/h3-11,15,32H,12-14H2,1-2H3/t15-,22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472674
(CHEMBL72021)Show SMILES [Na;v0+].[#6][C@@]([#8])([#6](=O)-[#7]-c1ccc(cc1Cl)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8-])=O)C(F)(F)F |r| Show InChI InChI=1S/C20H18ClF3N2O5.Na/c1-19(31,20(22,23)24)18(30)26-14-8-7-12(10-13(14)21)16(27)25-15(17(28)29)9-11-5-3-2-4-6-11;/h2-8,10,15,31H,9H2,1H3,(H,25,27)(H,26,30)(H,28,29);/q;+1/p-1/t15-,19+;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472633
(CHEMBL72204)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCc1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N2O4S/c1-17(27,18(21,22)23)16(26)25-15-7-6-13(10-14(15)19)30(28,29)24-9-8-11-2-4-12(20)5-3-11/h2-7,10,24,27H,8-9H2,1H3,(H,25,26)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472803
(CHEMBL83502)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C19H27F3N2O4S/c1-13-12-23(16(25)18(5,26)19(20,21)22)10-11-24(13)29(27,28)15-8-6-14(7-9-15)17(2,3)4/h6-9,13,26H,10-12H2,1-5H3/t13-,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472826
(CHEMBL83727)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C15H19F3N2O4S/c1-11-10-19(13(21)14(2,22)15(16,17)18)8-9-20(11)25(23,24)12-6-4-3-5-7-12/h3-7,11,22H,8-10H2,1-2H3/t11-,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472806
(CHEMBL84406)Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1c(C)cc(C)cc1C)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C24H29F3N2O4S/c1-15-12-16(2)21(17(3)13-15)19-6-8-20(9-7-19)34(32,33)29-11-10-28(14-18(29)4)22(30)23(5,31)24(25,26)27/h6-9,12-13,18,31H,10-11,14H2,1-5H3/t18-,23-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472790
(CHEMBL309697)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCN(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C19H25F3N2O6/c1-11-10-23(17(26)18(2,27)19(20,21)22)6-7-24(11)16(25)12-8-13(28-3)15(30-5)14(9-12)29-4/h8-9,11,27H,6-7,10H2,1-5H3/t11-,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472693
(CHEMBL73100)Show SMILES CN(CCCO)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C15H18ClF3N2O4/c1-14(25,15(17,18)19)13(24)20-11-5-4-9(8-10(11)16)12(23)21(2)6-3-7-22/h4-5,8,22,25H,3,6-7H2,1-2H3,(H,20,24)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472810
(CHEMBL3349326)Show SMILES C[C@@H]1CN(CCN1\C(Oc1ccccc1)=N\C#N)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O3/c1-12-10-23(14(25)16(2,26)17(18,19)20)8-9-24(12)15(22-11-21)27-13-6-4-3-5-7-13/h3-7,12,26H,8-10H2,1-2H3/b22-15-/t12-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472314
(CHEMBL421689)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCNCC1)C(F)(F)F Show InChI InChI=1S/C14H17ClF3N3O4S/c1-13(23,14(16,17)18)12(22)20-11-3-2-9(8-10(11)15)26(24,25)21-6-4-19-5-7-21/h2-3,8,19,23H,4-7H2,1H3,(H,20,22)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay |
J Med Chem 42: 2741-6 (1999)
Article DOI: 10.1021/jm9902584
BindingDB Entry DOI: 10.7270/Q2G73HG0 |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472635
(CHEMBL74399)Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C14H18ClF3N2O4S/c1-4-20(5-2)25(23,24)9-6-7-11(10(15)8-9)19-12(21)13(3,22)14(16,17)18/h6-8,22H,4-5H2,1-3H3,(H,19,21)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472842
(CHEMBL314190)Show SMILES C[C@@H]1CN(CCN1C(=O)C1CCCCC1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C16H25F3N2O3/c1-11-10-20(14(23)15(2,24)16(17,18)19)8-9-21(11)13(22)12-6-4-3-5-7-12/h11-12,24H,3-10H2,1-2H3/t11-,15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472661
(CHEMBL415267)Show SMILES CCN(CC)CCCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C17H25ClF3N3O4S/c1-4-24(5-2)10-6-9-22-29(27,28)12-7-8-14(13(18)11-12)23-15(25)16(3,26)17(19,20)21/h7-8,11,22,26H,4-6,9-10H2,1-3H3,(H,23,25)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
(Rattus norvegicus) | BDBM50472808
(CHEMBL419665)Show SMILES C[C@@H]1CN(CCN1C(=O)c1cccc2ccccc12)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C20H21F3N2O3/c1-13-12-24(18(27)19(2,28)20(21,22)23)10-11-25(13)17(26)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,28H,10-12H2,1-2H3/t13-,19-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats. |
J Med Chem 43: 236-49 (2000)
Article DOI: 10.1021/jm990358+
BindingDB Entry DOI: 10.7270/Q2B85BVQ |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472694
(CHEMBL73048)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C11H11ClF3NO4S/c1-10(18,11(13,14)15)9(17)16-8-4-3-6(5-7(8)12)21(2,19)20/h3-5,18H,1-2H3,(H,16,17)/t10-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial
(Homo sapiens (Human)) | BDBM50472314
(CHEMBL421689)Show SMILES C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCNCC1)C(F)(F)F Show InChI InChI=1S/C14H17ClF3N3O4S/c1-13(23,14(16,17)18)12(22)20-11-3-2-9(8-10(11)15)26(24,25)21-6-4-19-5-7-21/h2-3,8,19,23H,4-7H2,1H3,(H,20,22)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay |
J Med Chem 43: 2248-57 (2000)
Article DOI: 10.1021/jm0000923
BindingDB Entry DOI: 10.7270/Q2C82D1Z |
More data for this
Ligand-Target Pair | |
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