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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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UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL




Citation and Details
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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PC sid
UniChem
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL




Citation and Details
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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UniChem
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n/an/a 0.210n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL




Citation and Details
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




Citation and Details
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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UniChem
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n/an/a 0.230n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL




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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UniChem
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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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PC cid
PC sid
UniChem
PubMed
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)
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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PC cid
PC sid
UniChem
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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)
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)
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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PC sid
UniChem
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n/an/a 0.330n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL




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
PDB

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PC cid
PC sid
UniChem
PubMed
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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PC sid
UniChem
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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)
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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PC cid
PC sid
UniChem
PubMed
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
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
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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PC sid
UniChem
PubMed
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)
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




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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PubMed
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)
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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UniChem
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n/an/a 0.540n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL




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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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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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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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




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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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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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

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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)
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

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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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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

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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)
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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Universidad de Valencia

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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

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Assay Description
Inhibition of NADH oxidase activity.


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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Universidad de Valencia

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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

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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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Universidad de Valencia

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Assay Description
Inhibition of NADH oxidase activity.


Citation and Details
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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Universidad de Valencia

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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)
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




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
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