Found 23 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
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
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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) | 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) | 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) | 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
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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
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KEGG
PC cid
PC sid
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| 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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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
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PC cid
PC sid
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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
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| CHEMBL
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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 | |
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