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Compile Data Set for Download or QSAR

Found 66 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)
BDBM50403903
PNG
(LAHERRADURIN)
Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1[C@@H](O)[C@H](C)OC1=O
Show InChI InChI=1S/C37H68O7/c1-3-4-5-6-7-13-16-19-22-30(38)32-24-26-34(43-32)35-27-25-33(44-35)31(39)23-20-17-14-11-9-8-10-12-15-18-21-29-36(40)28(2)42-37(29)41/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


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
More data for this
Ligand-Target Pair
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


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50403908
PNG
(CHEMBL609932)
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)C[C@@]1(O)[C@H](O)[C@H](C)OC1=O
Show InChI InChI=1S/C37H68O9/c1-3-4-5-6-7-11-14-17-20-29(39)31-22-24-33(45-31)34-25-23-32(46-34)30(40)21-18-15-12-9-8-10-13-16-19-28(38)26-37(43)35(41)27(2)44-36(37)42/h27-35,38-41,43H,3-26H2,1-2H3/t27-,28+,29-,30+,31+,32+,33-,34-,35+,37+/m0/s1
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n/an/a 0.210n/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


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50403901
PNG
(CHEMBL349693)
Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC1[C@@H](O)[C@H](C)OC1=O
Show InChI InChI=1S/C35H64O7/c1-3-4-5-6-7-11-14-17-20-28(36)30-22-24-32(41-30)33-25-23-31(42-33)29(37)21-18-15-12-9-8-10-13-16-19-27-34(38)26(2)40-35(27)39/h26-34,36-38H,3-25H2,1-2H3/t26-,27?,28-,29+,30+,31+,32+,33+,34-/m0/s1
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n/an/a 0.210n/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


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50403899
PNG
(CHEMBL351789)
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)N=O)C(=O)O1
Show InChI InChI=1S/C37H67NO7/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)21-18-15-12-9-8-10-13-16-19-30-27-29(37(41)43-30)26-28(2)38-42/h28-36,39-40H,3-27H2,1-2H3/t28?,29?,30-,31-,32+,33+,34+,35-,36-/m0/s1
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n/an/a 0.230n/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


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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)


Article DOI: 10.1016/S0960-894X(97)00171-6
BindingDB Entry DOI: 10.7270/Q20P101B
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50403910
PNG
(CHEMBL349802)
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/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)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29?,30-,31-,32+,33+,34+,35-,36-/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 in sub-mitochondrial particles from bovine heart


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50403902
PNG
(CHEMBL161493)
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)CC1C[C@H](C)OC1=O
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(38)27-29-26-28(2)42-37(29)41/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 0.430n/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


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50403900
PNG
(CHEMBL161030)
Show SMILES CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCC[C@H]2CC(CC(C)N=O)C(=O)O2)O1
Show InChI InChI=1S/C37H67NO8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(46-35)33(41)21-20-32(40)34-22-19-29(44-34)16-13-10-9-11-14-17-30-26-28(37(42)45-30)25-27(2)38-43/h27-36,39-41H,3-26H2,1-2H3/t27?,28?,29-,30+,31-,32+,33+,34+,35+,36+/m1/s1
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n/an/a 0.540n/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


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
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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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)


Article DOI: 10.1016/S0960-894X(97)00171-6
BindingDB Entry DOI: 10.7270/Q20P101B
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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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)


Article DOI: 10.1016/S0960-894X(97)00171-6
BindingDB Entry DOI: 10.7270/Q20P101B
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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n/an/a 0.590n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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 in sub-mitochondrial particles from bovine heart


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


Bioorg Med Chem Lett 13: 4101-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.045
BindingDB Entry DOI: 10.7270/Q2G44PQJ
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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n/an/a 0.740n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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 0.75n/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)


Bioorg Med Chem Lett 14: 779-82 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.021
BindingDB Entry DOI: 10.7270/Q2ZC8290
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.


Bioorg Med Chem Lett 13: 4101-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.045
BindingDB Entry DOI: 10.7270/Q2G44PQJ
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50403907
PNG
(CHEMBL161529)
Show SMILES CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCC[C@H]2CC(CC(C)=O)C(=O)O2)O1
Show InChI InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-29(43-34)16-13-10-9-11-14-17-30-26-28(25-27(2)38)37(42)44-30/h28-36,39-41H,3-26H2,1-2H3/t28?,29-,30+,31-,32+,33+,34+,35+,36+/m1/s1
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n/an/a 0.830n/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


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
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.


Bioorg Med Chem Lett 13: 2385-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00439-6
BindingDB Entry DOI: 10.7270/Q2N58MWC
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.


Bioorg Med Chem Lett 13: 2385-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00439-6
BindingDB Entry DOI: 10.7270/Q2N58MWC
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


Bioorg Med Chem Lett 13: 2385-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00439-6
BindingDB Entry DOI: 10.7270/Q2N58MWC
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50403909
PNG
(CHEMBL159586)
Show SMILES CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCC[C@@H](O)CC2C[C@H](C)OC2=O)O1
Show InChI InChI=1S/C37H68O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h27-36,38-41H,3-26H2,1-2H3/t27-,28?,29+,30+,31+,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.20n/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


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50403904
PNG
(CHEMBL345841)
Show SMILES CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1
Show InChI InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.80n/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


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
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.


Bioorg Med Chem Lett 13: 4101-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.045
BindingDB Entry DOI: 10.7270/Q2G44PQJ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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.


Bioorg Med Chem Lett 13: 4101-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.045
BindingDB Entry DOI: 10.7270/Q2G44PQJ
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50403906
PNG
(CHEMBL162504)
Show SMILES CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCC[C@H]2CC(CC(C)O)C(=O)O2)O1
Show InChI InChI=1S/C37H68O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-29(43-34)16-13-10-9-11-14-17-30-26-28(25-27(2)38)37(42)44-30/h27-36,38-41H,3-26H2,1-2H3/t27?,28?,29-,30+,31-,32+,33+,34+,35+,36+/m1/s1
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n/an/a 2.5n/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


Bioorg Med Chem Lett 11: 681-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00036-1
BindingDB Entry DOI: 10.7270/Q2D21ZS9
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)


Bioorg Med Chem Lett 14: 779-82 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.021
BindingDB Entry DOI: 10.7270/Q2ZC8290
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.


Bioorg Med Chem Lett 13: 4101-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.045
BindingDB Entry DOI: 10.7270/Q2G44PQJ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
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)


Bioorg Med Chem Lett 14: 779-82 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.021
BindingDB Entry DOI: 10.7270/Q2ZC8290
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.


Bioorg Med Chem Lett 13: 4101-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.045
BindingDB Entry DOI: 10.7270/Q2G44PQJ
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.


Bioorg Med Chem Lett 13: 4101-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.045
BindingDB Entry DOI: 10.7270/Q2G44PQJ
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.


J Med Chem 43: 4793-800 (2000)


Article DOI: 10.1021/jm000911j
BindingDB Entry DOI: 10.7270/Q2FN16WQ
More data for this
Ligand-Target Pair
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