Found 37 hits with Last Name = 'franck' and Initial = 'x' 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 |
|---|
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094719
(3-{13-Hydroxy-2-hydroxyimino-13-[5'-(1-hydroxy-und...)Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC(CC1=C[C@H](C)OC1=O)N=O |t:38| Show InChI InChI=1S/C37H65NO7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(44-33)36-25-23-34(45-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38-42)27-29-26-28(2)43-37(29)41/h26,28,30-36,39-40H,3-25,27H2,1-2H3/t28-,30?,31-,32+,33+,34+,35-,36-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094725
(3-{13-Hydroxy-13-[5'-(1-hydroxy-undecyl)-octahydro...)Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O |r,t:38| Show InChI InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3/t29-,31-,32+,33+,34+,35+,36+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094718
(3-{2,11-Dihydroxy-11-[5'-(1-hydroxy-undecyl)-octah...)Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCC[C@@H](O)CC1=C[C@H](C)OC1=O |t:37| Show InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28(36)25-27-24-26(2)40-35(27)39/h24,26,28-34,36-38H,3-23,25H2,1-2H3/t26-,28+,29-,30+,31+,32+,33-,34-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094732
(3-[13-Hydroxy-2-oxo-13-(5'-undecanoyl-octahydro-[2...)Show SMILES CCCCCCCCCCC(=O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC(=O)CC1=C[C@H](C)OC1=O |t:39| Show InChI InChI=1S/C37H62O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,32-36,40H,3-25,27H2,1-2H3/t28-,32+,33+,34+,35-,36-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094726
(3-{13-Hydroxy-2-hydroxyimino-13-[5'-(1-hydroxyimin...)Show SMILES CCCCCCCCCCC(N=O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC(CC1=C[C@H](C)OC1=O)N=O |t:39| Show InChI InChI=1S/C37H64N2O7/c1-3-4-5-6-7-11-14-17-20-31(39-43)33-22-24-35(45-33)36-25-23-34(46-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38-42)27-29-26-28(2)44-37(29)41/h26,28,30-36,40H,3-25,27H2,1-2H3/t28-,30?,31?,32+,33+,34+,35-,36-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094716
(10-oxime-guanacone | 3-{13-Hydroxy-8-hydroxyimino-...)Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCC(CCCCCCCC1=C[C@H](C)OC1=O)N=O |r,t:38| Show InChI InChI=1S/C37H65NO7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(44-33)36-26-24-34(45-36)32(40)22-17-16-20-30(38-42)19-14-11-9-10-13-18-29-27-28(2)43-37(29)41/h27-28,30-36,39-40H,3-26H2,1-2H3/t28-,30?,31-,32+,33+,34+,35+,36+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50369751
(MOTRILIN)Show SMILES CCCCC[C@H](O)CCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O |t:39| Show InChI InChI=1S/C37H66O7/c1-3-4-13-19-30(38)20-16-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-15-12-10-8-6-5-7-9-11-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32-,33+,34+,35+,36+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094715
(3-{13-Hydroxy-13-[5'-(1-hydroxy-undecyl)-octahydro...)Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC(=O)CC1=C[C@H](C)OC1=O |t:39| Show InChI InChI=1S/C37H64O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,31-36,39-40H,3-25,27H2,1-2H3/t28-,31-,32+,33+,34+,35-,36-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50366820
(BULLATACIN)Show SMILES CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H]1CC[C@H](O1)[C@H](O)CCCCCCCCCC(O)CC1=CC(C)OC1=O |r,t:38| Show InChI InChI=1S/C36H64O7/c1-3-4-5-6-7-10-13-16-19-30(38)32-21-23-34(42-32)35-24-22-33(43-35)31(39)20-17-14-11-8-9-12-15-18-29(37)26-28-25-27(2)41-36(28)40/h25,27,29-35,37-39H,3-24,26H2,1-2H3/t27?,29?,30-,31-,32+,33+,34+,35+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50087503
(3-{13-[5'-(1,5-Dihydroxy-undecyl)-octahydro-[2,2']...)Show SMILES CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O |r,t:39| Show InChI InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32-,33+,34+,35+,36+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094728
((S)-3-((2R,13R)-2,13-dihydroxy-13-((2S,2'S,5R,5'R)...)Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@@H](O)CC1=C[C@H](C)OC1=O |r,t:39| Show InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34+,35-,36-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094729
(3-{13-Hydroxy-13-[5'-(1-hydroxy-5-oxo-undecyl)-oct...)Show SMILES CCCCCCC(=O)CCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O |t:39| Show InChI InChI=1S/C37H64O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,31-36,39-40H,3-26H2,1-2H3/t28-,31+,32-,33+,34+,35+,36+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094720
(3-{13-Hydroxy-13-[5'-(1-hydroxy-5-hydroxyimino-und...)Show SMILES CCCCCCC(CCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O)N=O |t:38| Show InChI InChI=1S/C37H65NO7/c1-3-4-5-15-19-30(38-42)20-17-22-32(40)34-24-26-36(45-34)35-25-23-33(44-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)43-37(29)41/h27-28,30-36,39-40H,3-26H2,1-2H3/t28-,30?,31+,32-,33+,34+,35+,36+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094713
(10-dihydroguanacone | 3-{8,13-Dihydroxy-13-[5'-(1-...)Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCC(O)CCCCCCCC1=C[C@H](C)OC1=O |r,t:39| Show InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-16-20-30(38)19-14-11-9-10-13-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30?,31-,32+,33+,34+,35+,36+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094723
(Acetic acid 12-acetoxy-12-[5'-(1-acetoxy-undecyl)-...)Show SMILES CCCCCCCCCC[C@H](OC(C)=O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCC[C@H](CC1=C[C@H](C)OC1=O)OC(C)=O)OC(C)=O |t:40| Show InChI InChI=1S/C43H72O10/c1-6-7-8-9-10-14-17-20-23-37(50-33(4)45)39-25-27-41(52-39)42-28-26-40(53-42)38(51-34(5)46)24-21-18-15-12-11-13-16-19-22-36(49-32(3)44)30-35-29-31(2)48-43(35)47/h29,31,36-42H,6-28,30H2,1-5H3/t31-,36+,37-,38+,39+,40+,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094724
(3-{13-Hydroxy-13-[5'-(1-hydroxy-undecyl)-octahydro...)Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCC(=O)CCCCCCCC1=C[C@H](C)OC1=O |r,t:39| Show InChI InChI=1S/C37H64O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-16-20-30(38)19-14-11-9-10-13-18-29-27-28(2)42-37(29)41/h27-28,31-36,39-40H,3-26H2,1-2H3/t28-,31-,32+,33+,34+,35+,36+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094721
(CHEMBL145555 | Methanesulfonic acid 12-methanesulf...)Show SMILES CCCCCCCCCC[C@H](OS(C)(=O)=O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCC[C@H](CC1=C[C@H](C)OC1=O)OS(C)(=O)=O)OS(C)(=O)=O |t:41| Show InChI InChI=1S/C40H72O13S3/c1-6-7-8-9-10-14-17-20-23-38(52-55(4,44)45)36-27-25-34(49-36)35-26-28-37(50-35)39(53-56(5,46)47)24-21-18-15-12-11-13-16-19-22-33(51-54(3,42)43)30-32-29-31(2)48-40(32)41/h29,31,33-39H,6-28,30H2,1-5H3/t31-,33+,34-,35-,36+,37+,38-,39+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094730
(13-(5-Methyl-2-oxo-2,5-dihydro-furan-3-yl)-1-(5'-u...)Show SMILES CCCCCCCCCCC(=O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)C(=O)CCCCC(=O)CCCCCCCC1=C[C@H](C)OC1=O |t:39| Show InChI InChI=1S/C37H60O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-17-16-20-30(38)19-14-11-9-10-13-18-29-27-28(2)42-37(29)41/h27-28,33-36H,3-26H2,1-2H3/t28-,33+,34+,35+,36+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094717
(Acetic acid 1-[5'-(1,6-diacetoxy-undecyl)-octahydr...)Show SMILES CCCCCC(CCCC[C@H](OC(C)=O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)OC(C)=O)OC(C)=O |t:40| Show InChI InChI=1S/C43H72O10/c1-6-7-16-22-36(49-32(3)44)23-19-20-25-38(51-34(5)46)40-27-29-42(53-40)41-28-26-39(52-41)37(50-33(4)45)24-18-15-13-11-9-8-10-12-14-17-21-35-30-31(2)48-43(35)47/h30-31,36-42H,6-29H2,1-5H3/t31-,36?,37+,38-,39+,40+,41+,42+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094727
(CHEMBL145064 | Methanesulfonic acid 6-methanesulfo...)Show SMILES CCCCCC(CCCC[C@H](OS(C)(=O)=O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)OS(C)(=O)=O)OS(C)(=O)=O |t:41| Show InChI InChI=1S/C40H72O13S3/c1-6-7-16-22-33(51-54(3,42)43)23-19-20-25-39(53-56(5,46)47)37-29-27-35(50-37)34-26-28-36(49-34)38(52-55(4,44)45)24-18-15-13-11-9-8-10-12-14-17-21-32-30-31(2)48-40(32)41/h30-31,33-39H,6-29H2,1-5H3/t31-,33?,34+,35+,36+,37+,38+,39-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094731
(Acetic acid 1-[5'-(1,5-diacetoxy-undecyl)-octahydr...)Show SMILES CCCCCC[C@@H](CCC[C@H](OC(C)=O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)OC(C)=O)OC(C)=O |t:40| Show InChI InChI=1S/C43H72O10/c1-6-7-8-18-22-36(49-32(3)44)23-20-25-38(51-34(5)46)40-27-29-42(53-40)41-28-26-39(52-41)37(50-33(4)45)24-19-16-14-12-10-9-11-13-15-17-21-35-30-31(2)48-43(35)47/h30-31,36-42H,6-29H2,1-5H3/t31-,36-,37+,38-,39+,40+,41+,42+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094714
(CHEMBL145073 | Methanesulfonic acid 1-(4-methanesu...)Show SMILES CCCCCC[C@@H](CCC[C@H](OS(C)(=O)=O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)OS(C)(=O)=O)OS(C)(=O)=O |t:41| Show InChI InChI=1S/C40H72O13S3/c1-6-7-8-18-22-33(51-54(3,42)43)23-20-25-39(53-56(5,46)47)37-29-27-35(50-37)34-26-28-36(49-34)38(52-55(4,44)45)24-19-16-14-12-10-9-11-13-15-17-21-32-30-31(2)48-40(32)41/h30-31,33-39H,6-29H2,1-5H3/t31-,33-,34+,35+,36+,37+,38+,39-/m0/s1 | PDB
UniProtKB/SwissProt
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 |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50094712
(3-{13-Azido-13-[5'-(1,5-diazido-undecyl)-octahydro...)Show SMILES CCCCCC[C@H](CCC[C@@H](N=[N+]=[N-])[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)N=[N+]=[N-])N=[N+]=[N-] |t:39| Show InChI InChI=1S/C37H63N9O4/c1-3-4-5-15-19-30(41-44-38)20-17-22-32(43-46-40)34-24-26-36(50-34)35-25-23-33(49-35)31(42-45-39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)48-37(29)47/h27-28,30-36H,3-26H2,1-2H3/t28-,30+,31-,32+,33+,34+,35+,36+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibition of NADH oxidase activity. |
J Med Chem 43: 4793-800 (2000)
BindingDB Entry DOI: 10.7270/Q2FN16WQ |
More data for this
Ligand-Target Pair | |
Cholesterol side-chain cleavage enzyme, mitochondrial
(Rattus norvegicus) | BDBM50498339
(CHEMBL3585711)Show SMILES Oc1ccc(\C=C2/OC(=O)C(C(=O)c3ccc(O)c(Br)c3)=C2c2cc(Br)c(O)c(Br)c2)cc1Br |c:21| Show InChI InChI=1S/C24H12Br4O6/c25-13-5-10(1-3-17(13)29)6-19-20(12-8-15(27)23(32)16(28)9-12)21(24(33)34-19)22(31)11-2-4-18(30)14(26)7-11/h1-9,29-30,32H/b19-6- | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Normandie Univ
Curated by ChEMBL
| Assay Description
Antibacterial activity against Enterococcus faecalis CECT 481 assessed as inhibition of microbial growth incubated for 18 hrs by 2-fold microtiter br... |
Bioorg Med Chem 23: 3618-28 (2015)
Article DOI: 10.1016/j.bmc.2015.04.010
BindingDB Entry DOI: 10.7270/Q2B56NRF |
More data for this
Ligand-Target Pair | |
Cholesterol side-chain cleavage enzyme, mitochondrial
(Rattus norvegicus) | BDBM50498341
(CHEMBL3585709)Show SMILES Oc1ccc(\C=C2/OC(=O)C(C(=O)c3ccc(O)c(Br)c3)=C2c2ccc(O)c(Br)c2)cc1Br |c:21| Show InChI InChI=1S/C24H13Br3O6/c25-14-7-11(1-4-17(14)28)8-20-21(12-2-5-18(29)15(26)9-12)22(24(32)33-20)23(31)13-3-6-19(30)16(27)10-13/h1-10,28-30H/b20-8- | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Normandie Univ
Curated by ChEMBL
| Assay Description
Antibacterial activity against Enterococcus faecalis CECT 481 assessed as inhibition of microbial growth incubated for 18 hrs by 2-fold microtiter br... |
Bioorg Med Chem 23: 3618-28 (2015)
Article DOI: 10.1016/j.bmc.2015.04.010
BindingDB Entry DOI: 10.7270/Q2B56NRF |
More data for this
Ligand-Target Pair | |
Cholesterol side-chain cleavage enzyme, mitochondrial
(Rattus norvegicus) | BDBM50498340
(CHEMBL3585717)Show SMILES Oc1ccc(\C=C2/OC(=O)C(C(=O)c3ccco3)=C2c2cc(Br)c(O)c(Br)c2)cc1Br |c:18| Show InChI InChI=1S/C22H11Br3O6/c23-12-6-10(3-4-15(12)26)7-17-18(11-8-13(24)20(27)14(25)9-11)19(22(29)31-17)21(28)16-2-1-5-30-16/h1-9,26-27H/b17-7- | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Normandie Univ
Curated by ChEMBL
| Assay Description
Antibacterial activity against Enterococcus faecalis CECT 481 assessed as inhibition of microbial growth incubated for 18 hrs by 2-fold microtiter br... |
Bioorg Med Chem 23: 3618-28 (2015)
Article DOI: 10.1016/j.bmc.2015.04.010
BindingDB Entry DOI: 10.7270/Q2B56NRF |
More data for this
Ligand-Target Pair | |
Cholesterol side-chain cleavage enzyme, mitochondrial
(Rattus norvegicus) | BDBM50498338
(CHEMBL3585716)Show SMILES Oc1ccc(\C=C2/OC(=O)C(C(=O)c3ccco3)=C2c2ccc(O)c(Br)c2)cc1Br |c:18| Show InChI InChI=1S/C22H12Br2O6/c23-13-8-11(3-5-15(13)25)9-18-19(12-4-6-16(26)14(24)10-12)20(22(28)30-18)21(27)17-2-1-7-29-17/h1-10,25-26H/b18-9- | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Normandie Univ
Curated by ChEMBL
| Assay Description
Antibacterial activity against Enterococcus faecalis CECT 481 assessed as inhibition of microbial growth incubated for 18 hrs by 2-fold microtiter br... |
Bioorg Med Chem 23: 3618-28 (2015)
Article DOI: 10.1016/j.bmc.2015.04.010
BindingDB Entry DOI: 10.7270/Q2B56NRF |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50510093
(CHEMBL4466552)Show SMILES COC(=O)C(OC(=O)C(\C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(OC)cc(C)c2O1)C(=O)OC |r| Show InChI InChI=1S/C28H38O8/c1-18(10-8-12-19(2)25(29)35-24(26(30)33-6)27(31)34-7)11-9-14-28(4)15-13-21-17-22(32-5)16-20(3)23(21)36-28/h11-12,16-17,24H,8-10,13-15H2,1-7H3/b18-11+,19-12+/t28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a |
University of Valencia
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer... |
J Nat Prod 82: 1802-1812 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00003
BindingDB Entry DOI: 10.7270/Q2ZW1Q7G |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50510094
(CHEMBL4460072)Show SMILES CCCOC(=O)C(\C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r| Show InChI InChI=1S/C25H36O4/c1-6-15-28-24(27)19(3)11-7-9-18(2)10-8-13-25(5)14-12-21-17-22(26)16-20(4)23(21)29-25/h10-11,16-17,26H,6-9,12-15H2,1-5H3/b18-10+,19-11+/t25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 991 | n/a | n/a | n/a | n/a |
University of Valencia
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer... |
J Nat Prod 82: 1802-1812 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00003
BindingDB Entry DOI: 10.7270/Q2ZW1Q7G |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50510091
(CHEMBL4519542)Show SMILES CCCOc1cc(C)c2O[C@](C)(CC\C=C(/C)CC\C=C(/C)C(O)=O)CCc2c1 |r| Show InChI InChI=1S/C25H36O4/c1-6-15-28-22-16-20(4)23-21(17-22)12-14-25(5,29-23)13-8-10-18(2)9-7-11-19(3)24(26)27/h10-11,16-17H,6-9,12-15H2,1-5H3,(H,26,27)/b18-10+,19-11+/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
University of Valencia
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer... |
J Nat Prod 82: 1802-1812 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00003
BindingDB Entry DOI: 10.7270/Q2ZW1Q7G |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50510092
(CHEMBL4593987)Show SMILES C\C(CC\C=C(/C)C(O)=O)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r| Show InChI InChI=1S/C22H30O4/c1-15(7-5-9-16(2)21(24)25)8-6-11-22(4)12-10-18-14-19(23)13-17(3)20(18)26-22/h8-9,13-14,23H,5-7,10-12H2,1-4H3,(H,24,25)/b15-8+,16-9+/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 184 | n/a | n/a | n/a | n/a |
University of Valencia
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer... |
J Nat Prod 82: 1802-1812 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00003
BindingDB Entry DOI: 10.7270/Q2ZW1Q7G |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50030474
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
University of Valencia
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer... |
J Nat Prod 82: 1802-1812 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00003
BindingDB Entry DOI: 10.7270/Q2ZW1Q7G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50510091
(CHEMBL4519542)Show SMILES CCCOc1cc(C)c2O[C@](C)(CC\C=C(/C)CC\C=C(/C)C(O)=O)CCc2c1 |r| Show InChI InChI=1S/C25H36O4/c1-6-15-28-22-16-20(4)23-21(17-22)12-14-25(5,29-23)13-8-10-18(2)9-7-11-19(3)24(26)27/h10-11,16-17H,6-9,12-15H2,1-5H3,(H,26,27)/b18-10+,19-11+/t25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a |
University of Valencia
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer... |
J Nat Prod 82: 1802-1812 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00003
BindingDB Entry DOI: 10.7270/Q2ZW1Q7G |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50510090
(CHEMBL4535730)Show SMILES COc1cc(C)c2O[C@](C)(CC\C=C(/C)CC\C=C(/C)C(O)=O)CCc2c1 |r| Show InChI InChI=1S/C23H32O4/c1-16(8-6-10-17(2)22(24)25)9-7-12-23(4)13-11-19-15-20(26-5)14-18(3)21(19)27-23/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,24,25)/b16-9+,17-10+/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
University of Valencia
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer... |
J Nat Prod 82: 1802-1812 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00003
BindingDB Entry DOI: 10.7270/Q2ZW1Q7G |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
University of Valencia
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer... |
J Nat Prod 82: 1802-1812 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00003
BindingDB Entry DOI: 10.7270/Q2ZW1Q7G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50510090
(CHEMBL4535730)Show SMILES COc1cc(C)c2O[C@](C)(CC\C=C(/C)CC\C=C(/C)C(O)=O)CCc2c1 |r| Show InChI InChI=1S/C23H32O4/c1-16(8-6-10-17(2)22(24)25)9-7-12-23(4)13-11-19-15-20(26-5)14-18(3)21(19)27-23/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,24,25)/b16-9+,17-10+/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
University of Valencia
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer... |
J Nat Prod 82: 1802-1812 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00003
BindingDB Entry DOI: 10.7270/Q2ZW1Q7G |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50510092
(CHEMBL4593987)Show SMILES C\C(CC\C=C(/C)C(O)=O)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r| Show InChI InChI=1S/C22H30O4/c1-15(7-5-9-16(2)21(24)25)8-6-11-22(4)12-10-18-14-19(23)13-17(3)20(18)26-22/h8-9,13-14,23H,5-7,10-12H2,1-4H3,(H,24,25)/b15-8+,16-9+/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 84 | n/a | n/a | n/a | n/a |
University of Valencia
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer... |
J Nat Prod 82: 1802-1812 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00003
BindingDB Entry DOI: 10.7270/Q2ZW1Q7G |
More data for this
Ligand-Target Pair | |
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