Found 275 hits with Last Name = 'grande' and Initial = 'd' 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 |
|---|
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50101257
((1R,2S,3R)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...)Show SMILES CCCOc1ccc2[C@H]([C@@H]([C@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Tested for in vitro inhibition of [125I]-ET-1 binding to CHO cells expressing human Endothelin A receptor |
Bioorg Med Chem Lett 11: 1737-40 (2001)
BindingDB Entry DOI: 10.7270/Q2B27TJ5 |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50101257
((1R,2S,3R)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...)Show SMILES CCCOc1ccc2[C@H]([C@@H]([C@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ET-1 binding to CHO cells expressing human Endothelin B receptor at a concentration of 1 uM |
Bioorg Med Chem Lett 11: 1737-40 (2001)
BindingDB Entry DOI: 10.7270/Q2B27TJ5 |
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 | |
DNA polymerase theta
(Homo sapiens) | BDBM50591272
(CHEMBL5208956)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(C)c1F |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50101268
(CHEMBL50232 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-(...)Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27NO9/c1-3-35-18-6-7-19-21(11-18)28(20-8-5-17(34-2)12-23(20)36-14-26(32)33)29(13-25(30)31)27(19)16-4-9-22-24(10-16)38-15-37-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t27-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor |
Bioorg Med Chem Lett 11: 1737-40 (2001)
BindingDB Entry DOI: 10.7270/Q2B27TJ5 |
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 | |
DNA polymerase theta
(Homo sapiens) | BDBM50591280
(CHEMBL5205456)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1F |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50101258
(CHEMBL295440 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...)Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27NO9/c1-3-35-18-6-7-19-21(11-18)28(20-8-5-17(34-2)12-23(20)36-14-26(32)33)29(13-25(30)31)27(19)16-4-9-22-24(10-16)38-15-37-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t27-,28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor |
Bioorg Med Chem Lett 11: 1737-40 (2001)
BindingDB Entry DOI: 10.7270/Q2B27TJ5 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591283
(CHEMBL5190089)Show SMILES CN(C(=O)[C@@H]1[C@H](O)CC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50101271
(CHEMBL47868 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(...)Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H29NO10/c1-4-37-17-6-7-18-20(12-17)27(19-8-10-22(35-2)29(36-3)28(19)38-14-25(33)34)30(13-24(31)32)26(18)16-5-9-21-23(11-16)40-15-39-21/h5-12,26-27H,4,13-15H2,1-3H3,(H,31,32)(H,33,34)/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor |
Bioorg Med Chem Lett 11: 1737-40 (2001)
BindingDB Entry DOI: 10.7270/Q2B27TJ5 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591246
(CHEMBL5175531)Show SMILES CN(C(=O)[C@@H]1CCC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591270
(CHEMBL5176919)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
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 | |
DNA polymerase theta
(Homo sapiens) | BDBM50591285
(CHEMBL5191330)Show SMILES CN(C(=O)[C@@H]1[C@H](O)[C@H](O)C(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591248
(CHEMBL5206992)Show SMILES CN(C(=O)[C@@H]1[C@H](O)CCN1c1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
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 | |
DNA polymerase theta
(Homo sapiens) | BDBM50591255
(CHEMBL5180095)Show SMILES CC(C)N(C(=O)[C@@H]1CCCN1c1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
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 | |
DNA polymerase theta
(Homo sapiens) | BDBM50591271
(CHEMBL5200410)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
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 | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50101259
(CHEMBL298212 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...)Show SMILES CCOc1ccc2[C@H](N([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H25NO10/c1-3-36-17-6-7-18-20(11-17)26(19-8-5-16(35-2)12-22(19)37-13-24(30)31)29(27(32)28(33)34)25(18)15-4-9-21-23(10-15)39-14-38-21/h4-12,25-26H,3,13-14H2,1-2H3,(H,30,31)(H,33,34)/t25-,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor |
Bioorg Med Chem Lett 11: 1737-40 (2001)
BindingDB Entry DOI: 10.7270/Q2B27TJ5 |
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 | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50101262
(3-[2-((1R,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymet...)Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1OCC(C)(C)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H33NO9/c1-5-38-20-8-9-21-23(13-20)29(22-10-7-19(37-4)14-25(22)39-16-31(2,3)30(35)36)32(15-27(33)34)28(21)18-6-11-24-26(12-18)41-17-40-24/h6-14,28-29H,5,15-17H2,1-4H3,(H,33,34)(H,35,36)/t28-,29+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor |
Bioorg Med Chem Lett 11: 1737-40 (2001)
BindingDB Entry DOI: 10.7270/Q2B27TJ5 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591273
(CHEMBL5205799)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1cccc(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591274
(CHEMBL5184660)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591279
(CHEMBL5191696)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1cccc(Cl)c1F |r| | PDB
KEGG
UniProtKB/SwissProt
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
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 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)) | 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 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 | |
DNA polymerase theta
(Homo sapiens) | BDBM50591284
(CHEMBL5171679)Show SMILES CCN(C(=O)[C@@H]1[C@H](O)[C@H](O)C(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
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)) | 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 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 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)) | 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 | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50101275
(4-[2-((1S,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymet...)Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCCCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H31NO9/c1-3-37-20-8-9-21-23(14-20)30(22-10-7-19(36-2)15-25(22)38-12-4-5-27(32)33)31(16-28(34)35)29(21)18-6-11-24-26(13-18)40-17-39-24/h6-11,13-15,29-30H,3-5,12,16-17H2,1-2H3,(H,32,33)(H,34,35)/t29-,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor |
Bioorg Med Chem Lett 11: 1737-40 (2001)
BindingDB Entry DOI: 10.7270/Q2B27TJ5 |
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 | |
DNA polymerase theta
(Homo sapiens) | BDBM50591277
(CHEMBL5174463)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1cc(Cl)ccc1F |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591251
(CHEMBL5206829)Show SMILES CN(C(=O)[C@@H]1C[C@H](O)CN1c1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591281
(CHEMBL5205767)Show SMILES CN(C(=O)[C@@H]1C[C@H](O)C(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
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 | |
DNA polymerase theta
(Homo sapiens) | BDBM50591252
(CHEMBL5192847)Show SMILES CCN(C(=O)[C@@H]1C[C@H](O)CN1c1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
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 | |
Search and Browse
