Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50013858 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) | BDBM50135518
((R)-5-{(S)-11-Hydroxy-11-[(2S,5S)-5-((S)-1-hydroxy...)Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCC(=O)CCCCC[C@@H]1CC(CC(C)=O)C(=O)O1 Show InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28,30-34,38-39H,3-26H2,1-2H3/t28?,30-,31+,32+,33+,34+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I. |
Bioorg Med Chem Lett 13: 4101-5 (2003)
BindingDB Entry DOI: 10.7270/Q2G44PQJ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50135523
((S)-3-{(2R,13S)-2,13-Dihydroxy-13-[(2S,5S)-5-((S)-...)Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCC(=O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O |t:36| Show InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31-,32-,33-,34-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I. |
Bioorg Med Chem Lett 13: 4101-5 (2003)
BindingDB Entry DOI: 10.7270/Q2G44PQJ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50135528
((R)-5-{(6S,11S)-6,11-Dihydroxy-11-[(2S,5S)-5-((S)-...)Show SMILES CCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H]1CC(CC(C)N=O)C(=O)O1 Show InChI InChI=1S/C34H63NO7/c1-3-4-5-6-7-8-9-10-14-20-30(37)32-22-23-33(42-32)31(38)21-16-15-18-28(36)17-12-11-13-19-29-25-27(34(39)41-29)24-26(2)35-40/h26-33,36-38H,3-25H2,1-2H3/t26?,27?,28-,29+,30-,31-,32-,33-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I. |
Bioorg Med Chem Lett 13: 4101-5 (2003)
BindingDB Entry DOI: 10.7270/Q2G44PQJ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50135520
((S)-5-Methyl-3-{(2R,8S,13S)-2,8,13-trihydroxy-13-[...)Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O |t:36| Show InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I. |
Bioorg Med Chem Lett 13: 4101-5 (2003)
BindingDB Entry DOI: 10.7270/Q2G44PQJ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50135522
((S)-3-{(2R,13S)-2,13-Dihydroxy-8-[(Z)-hydroxyimino...)Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCC(CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O)N=O |t:35| Show InChI InChI=1S/C35H63NO7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(43-33)32(39)22-17-16-19-29(36-41)18-13-12-14-20-30(37)26-28-25-27(2)42-35(28)40/h25,27,29-34,37-39H,3-24,26H2,1-2H3/t27-,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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I. |
Bioorg Med Chem Lett 13: 4101-5 (2003)
BindingDB Entry DOI: 10.7270/Q2G44PQJ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50135519
((R)-5-{(6S,11S)-6,11-Dihydroxy-11-[(2S,5S)-5-((S)-...)Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H]1CC(CC(C)=O)C(=O)O1 Show InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3/t28?,29-,30+,31-,32-,33-,34-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I. |
Bioorg Med Chem Lett 13: 4101-5 (2003)
BindingDB Entry DOI: 10.7270/Q2G44PQJ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50135526
((S)-5-Methyl-3-{(2R,8S,13S)-2,8,13-trihydroxy-13-[...)Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H](O)CC1C[C@H](C)OC1=O Show InChI InChI=1S/C35H66O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h27-34,36-39H,3-26H2,1-2H3/t27-,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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I. |
Bioorg Med Chem Lett 13: 4101-5 (2003)
BindingDB Entry DOI: 10.7270/Q2G44PQJ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50135527
((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C |r| Show InChI InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I. |
Bioorg Med Chem Lett 13: 4101-5 (2003)
BindingDB Entry DOI: 10.7270/Q2G44PQJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50135521
((R)-5-{(6S,11S)-6,11-Dihydroxy-11-[(2S,5S)-5-((S)-...)Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H]1CC(CC(C)O)C(=O)O1 Show InChI InChI=1S/C35H66O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h27-34,36-39H,3-26H2,1-2H3/t27?,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 | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I. |
Bioorg Med Chem Lett 13: 4101-5 (2003)
BindingDB Entry DOI: 10.7270/Q2G44PQJ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50135524
((S)-3,4-Dihydroxy-5-methyl-3-{(2R,8S,13S)-2,8,13-t...)Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H](O)CC1(O)C(O)[C@H](C)OC1=O Show InChI InChI=1S/C35H66O9/c1-3-4-5-6-7-8-9-10-11-15-21-29(38)31-23-24-32(44-31)30(39)22-17-16-19-27(36)18-13-12-14-20-28(37)25-35(42)33(40)26(2)43-34(35)41/h26-33,36-40,42H,3-25H2,1-2H3/t26-,27-,28+,29-,30-,31-,32-,33?,35?/m0/s1 | PDB
UniProtKB/SwissProt
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 |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I. |
Bioorg Med Chem Lett 13: 4101-5 (2003)
BindingDB Entry DOI: 10.7270/Q2G44PQJ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50135525
((S)-3-{(2R,13S)-8-[2-(3-Benzyloxy-4-methoxy-phenyl...)Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCC(CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O)NCCc1ccc(OC)c(OCc2ccccc2)c1 |t:35| Show InChI InChI=1S/C51H81NO8/c1-4-5-6-7-8-9-10-11-12-19-27-45(54)47-31-32-48(60-47)46(55)28-21-20-25-43(24-17-14-18-26-44(53)37-42-35-39(2)59-51(42)56)52-34-33-40-29-30-49(57-3)50(36-40)58-38-41-22-15-13-16-23-41/h13,15-16,22-23,29-30,35-36,39,43-48,52-55H,4-12,14,17-21,24-28,31-34,37-38H2,1-3H3/t39-,43?,44+,45-,46-,47-,48-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >150 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I. |
Bioorg Med Chem Lett 13: 4101-5 (2003)
BindingDB Entry DOI: 10.7270/Q2G44PQJ |
More data for this
Ligand-Target Pair | |
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