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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with Target = 'Mitochondrial complex I; NADH oxidoreductase'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50403898
PNG
(CHEMBL159443)
Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@H]1CC(CC(C)O)C(=O)O1
Show InChI InChI=1S/C37H68O7/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)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h28-36,38-40H,3-27H2,1-2H3/t28?,29?,30-,31-,32+,33+,34+,35-,36-/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094719
PNG
(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
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
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n/an/a 0.25n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094725
PNG
(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
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
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n/an/a 0.320n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50291655
PNG
((R)-3-{(2R,11R)-2,11-Dihydroxy-11-[(2S,5R,2'S,5'R)...)
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
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+/m1/s1
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n/an/a 0.330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart


Bioorg Med Chem Lett 7: 1113-1118 (1997)

More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094718
PNG
(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
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
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n/an/a 0.330n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094726
PNG
(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
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
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n/an/a 0.340n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094732
PNG
(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
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
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n/an/a 0.340n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094716
PNG
(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
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
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n/an/a 0.340n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50369751
PNG
(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
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
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n/an/a 0.410n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094715
PNG
(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
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
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n/an/a 0.420n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50366820
PNG
(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
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
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n/an/a 0.510n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50291654
PNG
((R)-3-{(2R,13R)-2,13-Dihydroxy-13-[(2S,5R,2'S,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
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+/m1/s1
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Article
n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart


Bioorg Med Chem Lett 7: 1113-1118 (1997)

More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50291656
PNG
((R)-3-{(R)-13-Hydroxy-13-[(2S,5R,2'S,5'R)-5'-((S)-...)
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
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+/m1/s1
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Article
n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart


Bioorg Med Chem Lett 7: 1113-1118 (1997)

More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50087503
PNG
(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
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
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PubMed
n/an/a 0.590n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094728
PNG
((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
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
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n/an/a 0.600n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094729
PNG
(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
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
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n/an/a 0.650n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135518
PNG
((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
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n/an/a 0.700n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094720
PNG
(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
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
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PubMed
n/an/a 0.740n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50116000
PNG
((S)-3-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((...)
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
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
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PubMed
n/an/a 0.75n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration needed to halve the control NADH oxidase activity in bovine heart submitochondrial particles (SMP)


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135523
PNG
((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
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
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n/an/a 0.800n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50116000
PNG
((S)-3-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((...)
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
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
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n/an/a 0.900n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50366820
PNG
(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
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
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n/an/a 0.900n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094713
PNG
(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
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
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n/an/a 0.950n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50130144
PNG
(2-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((R)-1...)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC=Cc1c(C)c(O)c(OC)c(OC)c1O
Show InChI InChI=1S/C41H70O8/c1-5-6-7-8-9-15-18-21-24-32(42)34-26-28-36(48-34)37-29-27-35(49-37)33(43)25-22-19-16-13-11-10-12-14-17-20-23-31-30(2)38(44)40(46-3)41(47-4)39(31)45/h20,23,32-37,42-45H,5-19,21-22,24-29H2,1-4H3/t32-,33-,34-,35-,36-,37-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094723
PNG
(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
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
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n/an/a 1.5n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094724
PNG
(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
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
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n/an/a 1.5n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094721
PNG
(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
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
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n/an/a 1.70n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094730
PNG
(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
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
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n/an/a 1.70n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135528
PNG
((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
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n/an/a 1.90n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094717
PNG
(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
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
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n/an/a 2.10n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135520
PNG
((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
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
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n/an/a 2.30n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50139593
PNG
((S)-3-{13-[(2R,5S,1'R,3'R)-5'-((R)-1-Hydroxy-undec...)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@H](CCCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1
Show InChI InChI=1S/C37H66O5/c1-3-4-5-6-7-15-18-21-24-33(38)34-27-28-36(42-34)35-26-25-32(41-35)23-20-17-14-12-10-8-9-11-13-16-19-22-31-29-30(2)40-37(31)39/h29-30,32-36,38H,3-28H2,1-2H3/t30-,32-,33+,34+,35+,36+/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration needed to halve the control NADH oxidase activity in bovine heart submitochondrial particles (SMP)


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135522
PNG
((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
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
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n/an/a 2.70n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094727
PNG
(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
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
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n/an/a 2.90n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50139595
PNG
((S)-3-[(R)-13-Hydroxy-13-((2R,5R,1'S,3'R)-5'-undec...)
Show SMILES CCCCCCCCCCC[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C37H66O5/c1-3-4-5-6-7-10-14-17-20-23-32-25-26-35(41-32)36-28-27-34(42-36)33(38)24-21-18-15-12-9-8-11-13-16-19-22-31-29-30(2)40-37(31)39/h29-30,32-36,38H,3-28H2,1-2H3/t30-,32-,33+,34+,35+,36+/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration needed to halve the control NADH oxidase activity in bovine heart submitochondrial particles (SMP)


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135519
PNG
((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
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n/an/a 3.30n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135526
PNG
((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
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n/an/a 3.60n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094731
PNG
(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
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
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n/an/a 5n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135527
PNG
((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C
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
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n/an/a 5.10n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135521
PNG
((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
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n/an/a 5.80n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094714
PNG
(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
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
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n/an/a 14n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50094712
PNG
(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-]
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
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n/an/a 18n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135524
PNG
((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
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n/an/a 22n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50139594
PNG
((S)-5-Methyl-3-[13-((2R,5S,1'S,3'R)-5'-undecyl-oct...)
Show SMILES CCCCCCCCCCC[C@H]1CC[C@@H](O1)[C@H]1CC[C@H](CCCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1
Show InChI InChI=1S/C37H66O4/c1-3-4-5-6-7-11-15-18-21-24-33-26-28-35(40-33)36-29-27-34(41-36)25-22-19-16-13-10-8-9-12-14-17-20-23-32-30-31(2)39-37(32)38/h30-31,33-36H,3-29H2,1-2H3/t31-,33-,34-,35+,36+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration needed to halve the control NADH oxidase activity in bovine heart submitochondrial particles (SMP)


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135525
PNG
((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
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
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n/an/a>150n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50130145
PNG
((R)-1-[(5R,2'R,5'R)-5'-((R)-1-Hydroxy-undecyl)-oct...)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCc1c(C)c(OC)c(OC)c(OC)c1OC
Show InChI InChI=1S/C43H76O8/c1-7-8-9-10-11-17-20-23-26-34(44)36-28-30-38(50-36)39-31-29-37(51-39)35(45)27-24-21-18-15-13-12-14-16-19-22-25-33-32(2)40(46-3)42(48-5)43(49-6)41(33)47-4/h34-39,44-45H,7-31H2,1-6H3/t34-,35-,36-,37-,38-,39-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50089611
PNG
((1-Benzyl-6-benzyloxy-7-methoxy-3,4-dihydro-1H-iso...)
Show SMILES COc1cc2C(Cc3ccccc3)N(CCc2cc1OCc1ccccc1)P(=O)(OC(C)C)OC(C)C
Show InChI InChI=1S/C30H38NO5P/c1-22(2)35-37(32,36-23(3)4)31-17-16-26-19-30(34-21-25-14-10-7-11-15-25)29(33-5)20-27(26)28(31)18-24-12-8-6-9-13-24/h6-15,19-20,22-23,28H,16-18,21H2,1-5H3
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n/an/a 1.69E+3n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH oxidase


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50089614
PNG
(1-Benzyl-6-benzyloxy-7-methoxy-2-methyl-1,2,3,4-te...)
Show SMILES COc1cc2C(Cc3ccccc3)N(C)CCc2cc1OCc1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-26-14-13-21-16-25(28-18-20-11-7-4-8-12-20)24(27-2)17-22(21)23(26)15-19-9-5-3-6-10-19/h3-12,16-17,23H,13-15,18H2,1-2H3
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PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH oxidase


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50089613
PNG
(1-Benzyl-6-benzyloxy-7-methoxy-3,4-dihydro-isoquin...)
Show SMILES COc1cc2C(Cc3ccccc3)=NCCc2cc1OCc1ccccc1
Show InChI InChI=1S/C24H23NO2/c1-26-23-16-21-20(15-24(23)27-17-19-10-6-3-7-11-19)12-13-25-22(21)14-18-8-4-2-5-9-18/h2-11,15-16H,12-14,17H2,1H3
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n/an/a 2.91E+3n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH oxidase


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50089612
PNG
(1-Benzyl-6-benzyloxy-7-methoxy-1,2,3,4-tetrahydro-...)
Show SMILES COc1cc2C(Cc3ccccc3)NCCc2cc1OCc1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-26-23-16-21-20(15-24(23)27-17-19-10-6-3-7-11-19)12-13-25-22(21)14-18-8-4-2-5-9-18/h2-11,15-16,22,25H,12-14,17H2,1H3
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n/an/a 3.88E+3n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH oxidase


Citation and Details
More data for this
Ligand-Target Pair
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