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Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with Target = 'NADH-ubiquinone oxidoreductase'   
Target
(Institution)
LigandTarget
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
Acyl carrier protein, mitochondrial


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PubMed
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)

More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(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
PDB
MMDB

KEGG

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PubMed
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)

More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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PubMed
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)

More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(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
PDB
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KEGG

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PubMed
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)

More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(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)

More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(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)

More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(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)

More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(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)

More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
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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Article
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(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
PDB
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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)

More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase subunit B14.7


(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
PDB

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UniChem

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PubMed
n/an/a 0.900n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine heart mitochondrial NADH ubiquinone oxidoreductase (complex I)


Bioorg Med Chem Lett 12: 2089-92 (2002)

More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92960
PNG
(Piperazine derivative, 24)
Show SMILES O[C@H](CCCCCOCc1c(F)c(F)c(N[N+]#N)c(F)c1F)CN1CCN(C[C@H](O)CCCCCOc2ccc(I)cc2)CC1
Show InChI InChI=1S/C31H43F4IN5O4/c32-27-26(28(33)30(35)31(29(27)34)38-39-37)21-44-17-5-1-3-7-23(42)19-40-13-15-41(16-14-40)20-24(43)8-4-2-6-18-45-25-11-9-22(36)10-12-25/h9-12,23-24,38,42-43H,1-8,13-21H2/q+1/t23-,24-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92945
PNG
(Piperazine derivative, 10)
Show SMILES O[C@H](CCCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C34H54N2O2/c37-33(23-15-5-1-3-9-17-31-19-11-7-12-20-31)29-35-25-27-36(28-26-35)30-34(38)24-16-6-2-4-10-18-32-21-13-8-14-22-32/h7-8,11-14,19-22,33-34,37-38H,1-6,9-10,15-18,23-30H2/t33-,34-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(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 1.22n/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)

More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004703
PNG
(COROSSOLINE | Corossoline)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)CCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30+,31+,32+,33+,34+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92949
PNG
(Piperazine derivative, 13)
Show SMILES O[C@H](CCCCCCCc1ccccc1)CN1CCCN(C[C@H](O)CCCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C35H56N2O2/c38-34(24-15-5-1-3-9-18-32-20-11-7-12-21-32)30-36-26-17-27-37(29-28-36)31-35(39)25-16-6-2-4-10-19-33-22-13-8-14-23-33/h7-8,11-14,20-23,34-35,38-39H,1-6,9-10,15-19,24-31H2/t34-,35-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92946
PNG
(Piperazine derivative, 9)
Show SMILES O[C@H](CCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C32H50N2O2/c35-31(21-13-3-1-7-15-29-17-9-5-10-18-29)27-33-23-25-34(26-24-33)28-32(36)22-14-4-2-8-16-30-19-11-6-12-20-30/h5-6,9-12,17-20,31-32,35-36H,1-4,7-8,13-16,21-28H2/t31-,32-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)
BDBM50411085
PNG
(CHEMBL464549)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC
Show InChI InChI=1S/C30H58O4/c1-3-5-7-9-11-13-15-17-19-25(31)27-21-23-29(33-27)30-24-22-28(34-30)26(32)20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3/t25-,26-,27-,28-,29-,30-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(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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PubMed
n/an/a 1.84n/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)

More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004702
PNG
((10S)-COROSSOLINE)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@@H](O)CCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30-,31+,32+,33+,34+/m0/s1
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004705
PNG
(CIS-SOLAMIN)
Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31-,32+,33-,34+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50427137
PNG
(SOLAMIN)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CCC(O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31+,32+,33+,34?/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine heart mitochondrial complex 1


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004705
PNG
(CIS-SOLAMIN)
Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31-,32+,33-,34+/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92955
PNG
(Piperazine derivative, 19)
Show SMILES C(CCCCc1ccccc1)CCCN1CCN(CCCCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C32H50N2/c1(5-11-19-31-21-13-9-14-22-31)3-7-17-25-33-27-29-34(30-28-33)26-18-8-4-2-6-12-20-32-23-15-10-16-24-32/h9-10,13-16,21-24H,1-8,11-12,17-20,25-30H2
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n/an/a 2.20n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92948
PNG
(Piperazine derivative, 12)
Show SMILES O[C@@H](CCCCCCc1ccccc1)CN1CCN(C[C@@H](O)CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C32H50N2O2/c35-31(21-13-3-1-7-15-29-17-9-5-10-18-29)27-33-23-25-34(26-24-33)28-32(36)22-14-4-2-8-16-30-19-11-6-12-20-30/h5-6,9-12,17-20,31-32,35-36H,1-4,7-8,13-16,21-28H2/t31-,32-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(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 2.48n/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)

More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92941
PNG
(Piperazine derivative, 5)
Show SMILES CCCCCCCCCCC(O)CN1CCN(CC(O)CCCCCCCCCC)CC1
Show InChI InChI=1S/C28H58N2O2/c1-3-5-7-9-11-13-15-17-19-27(31)25-29-21-23-30(24-22-29)26-28(32)20-18-16-14-12-10-8-6-4-2/h27-28,31-32H,3-26H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92950
PNG
(Piperazine derivative, 14)
Show SMILES O[C@H](CCCCCCCc1ccccc1)CN1C[C@H]2C[C@@H]1CN2C[C@H](O)CCCCCCCc1ccccc1
Show InChI InChI=1S/C35H54N2O2/c38-34(23-15-5-1-3-9-17-30-19-11-7-12-20-30)28-36-26-33-25-32(36)27-37(33)29-35(39)24-16-6-2-4-10-18-31-21-13-8-14-22-31/h7-8,11-14,19-22,32-35,38-39H,1-6,9-10,15-18,23-29H2/t32-,33-,34-,35-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50427136
PNG
(CHEMBL1834283)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](CF)OC1=O
Show InChI InChI=1S/C35H63FO5/c1-2-3-4-5-6-7-11-14-17-20-23-31(37)33-25-26-34(41-33)32(38)24-21-18-15-12-9-8-10-13-16-19-22-29-27-30(28-36)40-35(29)39/h27,30-34,37-38H,2-26,28H2,1H3/t30-,31-,32-,33-,34-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine heart mitochondrial complex 1


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase subunit B14.7


(Bos taurus)
BDBM50115999
PNG
((S)-3-{(R)-13-Hydroxy-13-[(2R,5R,2'R,5'R)-5'-((R)-...)
Show SMILES C[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/C28H48O6/c1-20-19-22(28(31)32-20)13-11-9-7-5-3-4-6-8-10-12-14-23(30)25-16-18-27(34-25)26-17-15-24(33-26)21(2)29/h19-21,23-27,29-30H,3-18H2,1-2H3/t20-,21+,23+,24+,25+,26+,27+/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 activity of the compound against bovine heart mitochondrial NADH ubiquinone oxidoreductase (complex I)


Bioorg Med Chem Lett 12: 2089-92 (2002)

More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)
BDBM50411084
PNG
(CHEMBL208839)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCC
Show InChI InChI=1S/C26H50O4/c1-3-5-7-9-10-11-12-14-16-22(28)24-18-20-26(30-24)25-19-17-23(29-25)21(27)15-13-8-6-4-2/h21-28H,3-20H2,1-2H3/t21-,22-,23-,24-,25-,26-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I (NADH dehydrogenase)


(Homo sapiens)
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 3.5n/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for the inhibition of NADH dehydrogenase


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92956
PNG
(Piperazine derivative, 20)
Show SMILES C(CCCCN1CCN(CCCCCCCCCc2ccccc2)CC1)CCCCc1ccccc1
Show InChI InChI=1S/C34H54N2/c1(3-7-13-21-33-23-15-11-16-24-33)5-9-19-27-35-29-31-36(32-30-35)28-20-10-6-2-4-8-14-22-34-25-17-12-18-26-34/h11-12,15-18,23-26H,1-10,13-14,19-22,27-32H2
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n/an/a 3.60n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)
BDBM50411905
PNG
(CHEMBL272733)
Show SMILES COc1nc(CC=C(C)C\C=C\C(\C)=C\[C@@H](C)[C@@H](O)C(\C)=C\C)c(C)c(O)c1OC
Show InChI InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13?,17-15+,18-9+/t19-,22+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Georg-August-Universit£t G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92947
PNG
(Piperazine derivative, 11)
Show SMILES O[C@H](CCCCCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C38H62N2O2/c41-37(27-19-9-5-1-3-7-13-21-35-23-15-11-16-24-35)33-39-29-31-40(32-30-39)34-38(42)28-20-10-6-2-4-8-14-22-36-25-17-12-18-26-36/h11-12,15-18,23-26,37-38,41-42H,1-10,13-14,19-22,27-34H2/t37-,38-/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)
BDBM50411092
PNG
(CHEMBL209302)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCC
Show InChI InChI=1S/C30H58O4/c1-3-5-7-9-11-12-13-14-16-18-20-26(32)28-22-24-30(34-28)29-23-21-27(33-29)25(31)19-17-15-10-8-6-4-2/h25-32H,3-24H2,1-2H3/t25-,26-,27-,28-,29-,30-/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)
BDBM50403905
PNG
(CHEMBL608197)
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)C[C@@]2(O)[C@H](O)[C@@H](C)OC2=O)O1
Show InChI InChI=1S/C37H68O10/c1-3-4-5-6-7-8-12-15-18-29(39)33-23-24-34(47-33)31(41)21-20-30(40)32-22-19-28(46-32)17-14-11-9-10-13-16-27(38)25-37(44)35(42)26(2)45-36(37)43/h26-35,38-42,44H,3-25H2,1-2H3/t26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,37-/m1/s1
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n/an/a 8.47n/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)

More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)
BDBM50411088
PNG
(CHEMBL211108)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCC
Show InChI InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-29(35)31-25-27-33(37-31)34-28-26-32(38-34)30(36)24-22-20-18-16-14-12-10-8-6-4-2/h29-36H,3-28H2,1-2H3/t29-,30-,31-,32-,33-,34-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92944
PNG
(Piperazine derivative, 8)
Show SMILES O[C@H](CCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCc2ccccc2)CC1
Show InChI InChI=1S/C30H46N2O2/c33-29(19-11-3-9-17-27-13-5-1-6-14-27)25-31-21-23-32(24-22-31)26-30(34)20-12-4-10-18-28-15-7-2-8-16-28/h1-2,5-8,13-16,29-30,33-34H,3-4,9-12,17-26H2/t29-,30-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92954
PNG
(Piperazine derivative, 18)
Show SMILES C(CCCN1CCN(CCCCCCCc2ccccc2)CC1)CCCc1ccccc1
Show InChI InChI=1S/C30H46N2/c1(3-9-17-29-19-11-7-12-20-29)5-15-23-31-25-27-32(28-26-31)24-16-6-2-4-10-18-30-21-13-8-14-22-30/h7-8,11-14,19-22H,1-6,9-10,15-18,23-28H2
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n/an/a 12n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I (NADH dehydrogenase)


(Homo sapiens)
BDBM50280476
PNG
((2R,6aS,12aS)-2-Isopropyl-8,9-dimethoxy-6a-methyl-...)
Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(C)c2cc1OC)C(C)C
Show InChI InChI=1S/C24H26O6/c1-12(2)17-8-14-16(29-17)7-6-13-22(14)30-21-11-28-18-10-20(27-5)19(26-4)9-15(18)24(21,3)23(13)25/h6-7,9-10,12,17,21H,8,11H2,1-5H3/t17-,21-,24+/m1/s1
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for the inhibition of NADH dehydrogenase


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004701
PNG
((17R,18R,21R,22S)-reticulation-1)
Show SMILES CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C37H68O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3/t31-,33-,34+,35+,36+/m0/s1
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50004700
PNG
((17S, 18S, 21S, 22R)-reticulation-1)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@@H](O)CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O
Show InChI InChI=1S/C37H68O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3/t31-,33+,34-,35+,36+/m0/s1
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
Mitochondrial complex I (NADH dehydrogenase)


(Homo sapiens)
BDBM50280475
PNG
((2R,6aS,12aS)-2-Isopropenyl-8,9-dimethoxy-6a-methy...)
Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(C)c2cc1OC)C(C)=C
Show InChI InChI=1S/C24H24O6/c1-12(2)17-8-14-16(29-17)7-6-13-22(14)30-21-11-28-18-10-20(27-5)19(26-4)9-15(18)24(21,3)23(13)25/h6-7,9-10,17,21H,1,8,11H2,2-5H3/t17-,21-,24+/m1/s1
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for the inhibition of NADH dehydrogenase


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase MLRQ subunit


(Homo sapiens)
BDBM50172374
PNG
(2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...)
Show SMILES COc1cc(CC(=C)c2ccc3OC(C)(C)CCc3c2)cc(OC)c1OC
Show InChI InChI=1S/C23H28O4/c1-15(11-16-12-20(24-4)22(26-6)21(13-16)25-5)17-7-8-19-18(14-17)9-10-23(2,3)27-19/h7-8,12-14H,1,9-11H2,2-6H3
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n/an/a 18n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH ubiquinone oxidoreductase


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase MLRQ subunit


(Homo sapiens)
BDBM50172374
PNG
(2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...)
Show SMILES COc1cc(CC(=C)c2ccc3OC(C)(C)CCc3c2)cc(OC)c1OC
Show InChI InChI=1S/C23H28O4/c1-15(11-16-12-20(24-4)22(26-6)21(13-16)25-5)17-7-8-19-18(14-17)9-10-23(2,3)27-19/h7-8,12-14H,1,9-11H2,2-6H3
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n/an/a 18n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH-ubiquinone oxidoreductase


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92942
PNG
(Piperazine derivative, 6)
Show SMILES CCCCCCCCCCCCCCC(O)CN1CCN(CC(O)CCCCCC)CC1
Show InChI InChI=1S/C28H58N2O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-28(32)26-30-23-21-29(22-24-30)25-27(31)19-17-8-6-4-2/h27-28,31-32H,3-26H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).


Citation and Details
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)
BDBM50411091
PNG
(CHEMBL377863)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCC(CCC)CCC
Show InChI InChI=1S/C30H58O4/c1-4-7-8-9-10-11-12-13-18-25(31)27-20-22-29(33-27)30-23-21-28(34-30)26(32)19-14-17-24(15-5-2)16-6-3/h24-32H,4-23H2,1-3H3/t25-,26-,27-,28-,29-,30-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM50427135
PNG
(CHEMBL1834284)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@@H](OC1=O)C(F)F
Show InChI InChI=1S/C35H62F2O5/c1-2-3-4-5-6-7-11-14-17-20-23-29(38)31-25-26-32(41-31)30(39)24-21-18-15-12-9-8-10-13-16-19-22-28-27-33(34(36)37)42-35(28)40/h27,29-34,38-39H,2-26H2,1H3/t29-,30-,31-,32-,33-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine heart mitochondrial complex 1


Citation and Details
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)
BDBM50411087
PNG
(CHEMBL377013)
Show SMILES CCCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCC
Show InChI InChI=1S/C30H58O4/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-26(32)28-22-24-30(34-28)29-23-21-27(33-29)25(31)19-17-8-6-4-2/h25-32H,3-24H2,1-2H3/t25-,26-,27-,28-,29-,30-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay


Citation and Details
More data for this
Ligand-Target Pair
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