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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with Target = 'Acyl carrier protein, mitochondrial'   
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

UniProtKB/SwissProt

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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)

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

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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)

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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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
PDB
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KEGG

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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
PDB
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KEGG

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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
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
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
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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PubMed
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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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
PDB
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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
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
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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


Bioorg Med Chem 16: 1738-46 (2008)

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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


(Bos taurus)
BDBM50411082
PNG
(CHEMBL208980)
Show SMILES CCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCC
Show InChI InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-21(27)23-17-19-25(29-23)26-20-18-24(30-26)22(28)16-14-12-10-8-6-4-2/h21-28H,3-20H2,1-2H3/t21-,22-,23-,24-,25-,26-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


(Bos taurus)
BDBM50411083
PNG
(CHEMBL379529)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CC
Show InChI InChI=1S/C22H42O4/c1-3-5-6-7-8-9-10-11-12-18(24)20-14-16-22(26-20)21-15-13-19(25-21)17(23)4-2/h17-24H,3-16H2,1-2H3/t17-,18-,19-,20-,21-,22-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


(Bos taurus)
BDBM50411907
PNG
(IROMYCIN S)
Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)(C)C)[nH]c(=O)c(C)c1O
Show InChI InChI=1S/C20H31NO2/c1-7-9-16-17(21-19(23)15(3)18(16)22)12-11-14(2)10-8-13-20(4,5)6/h8,11,13H,7,9-10,12H2,1-6H3,(H2,21,22,23)/b13-8+,14-11+
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n/an/a 183n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411093
PNG
(CHEMBL211884)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](C)O
Show InChI InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-17(23)19-13-15-21(25-19)20-14-12-18(24-20)16(2)22/h16-23H,3-15H2,1-2H3/t16-,17-,18-,19-,20-,21-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


(Bos taurus)
BDBM50411089
PNG
(CHEMBL211178)
Show SMILES CCCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](C)O
Show InChI InChI=1S/C25H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21(27)23-17-19-25(29-23)24-18-16-22(28-24)20(2)26/h20-27H,3-19H2,1-2H3/t20-,21-,22-,23-,24-,25-/m1/s1
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n/an/a 410n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


(Bos taurus)
BDBM50411904
PNG
(IROMYCIN A)
Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)C)[nH]c(=O)c(C)c1O
Show InChI InChI=1S/C19H29NO2/c1-6-8-16-17(20-19(22)15(5)18(16)21)12-11-14(4)10-7-9-13(2)3/h7,9,11,13H,6,8,10,12H2,1-5H3,(H2,20,21,22)/b9-7+,14-11+
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n/an/a 461n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411090
PNG
(CHEMBL211345)
Show SMILES CCCCC(CC)CCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCC(CC)CCCC
Show InChI InChI=1S/C30H58O4/c1-5-9-13-23(7-3)15-11-17-25(31)27-19-21-29(33-27)30-22-20-28(34-30)26(32)18-12-16-24(8-4)14-10-6-2/h23-32H,5-22H2,1-4H3/t23?,24?,25-,26-,27-,28-,29-,30-/m1/s1
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n/an/a 870n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


(Bos taurus)
BDBM50411909
PNG
(IROMYCIN M)
Show SMILES CCCCC\C(C)=C\Cc1[nH]c(=O)c(C)c(O)c1CCC
Show InChI InChI=1S/C18H29NO2/c1-5-7-8-10-13(3)11-12-16-15(9-6-2)17(20)14(4)18(21)19-16/h11H,5-10,12H2,1-4H3,(H2,19,20,21)/b13-11+
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n/an/a 1.01E+3n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411086
PNG
(CHEMBL378692)
Show SMILES CCCC(CCC)CCC[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/c1-5-11-23(12-6-2)15-9-17-25(31)27-19-21-29(33-27)30-22-20-28(34-30)26(32)18-10-16-24(13-7-3)14-8-4/h23-32H,5-22H2,1-4H3/t25-,26-,27-,28-,29-,30-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


(Bos taurus)
BDBM50411911
PNG
(CHEMBL270644)
Show SMILES CCCc1c(O)c(C)c(=O)[nH]c1CCC(C)CCCC(C)C
Show InChI InChI=1S/C19H33NO2/c1-6-8-16-17(20-19(22)15(5)18(16)21)12-11-14(4)10-7-9-13(2)3/h13-14H,6-12H2,1-5H3,(H2,20,21,22)
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n/an/a 2.21E+3n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411910
PNG
(CHEMBL270201)
Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)C)[nH]c(=O)c(C)c1OC
Show InChI InChI=1S/C20H31NO2/c1-7-9-17-18(21-20(22)16(5)19(17)23-6)13-12-15(4)11-8-10-14(2)3/h8,10,12,14H,7,9,11,13H2,1-6H3,(H,21,22)/b10-8+,15-12+
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n/an/a 2.80E+3n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411913
PNG
(IROMYCIN C)
Show SMILES CCCc1c(C\C=C(/C)C\C=C\CC)[nH]c(=O)c(C)c1O
Show InChI InChI=1S/C18H27NO2/c1-5-7-8-10-13(3)11-12-16-15(9-6-2)17(20)14(4)18(21)19-16/h7-8,11H,5-6,9-10,12H2,1-4H3,(H2,19,20,21)/b8-7+,13-11+
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n/an/a 3.52E+3n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50130143
PNG
((R)-1-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-hexyl)-oc...)
Show SMILES CCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCC
Show InChI InChI=1S/C20H38O4/c1-3-5-7-9-15(21)17-11-13-19(23-17)20-14-12-18(24-20)16(22)10-8-6-4-2/h15-22H,3-14H2,1-2H3/t15-,16-,17-,18-,19-,20-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3555-8 (2006)

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


(Bos taurus)
BDBM50411908
PNG
(CHEMBL256862)
Show SMILES CCCCC\C(C)=C\Cc1oc(=O)c(C)c(O)c1CCC
Show InChI InChI=1S/C18H28O3/c1-5-7-8-10-13(3)11-12-16-15(9-6-2)17(19)14(4)18(20)21-16/h11,19H,5-10,12H2,1-4H3/b13-11+
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n/an/a 8.55E+3n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411906
PNG
(CHEMBL258094)
Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)(C)C)oc(=O)c(C)c1O
Show InChI InChI=1S/C20H30O3/c1-7-9-16-17(23-19(22)15(3)18(16)21)12-11-14(2)10-8-13-20(4,5)6/h8,11,13,21H,7,9-10,12H2,1-6H3/b13-8+,14-11+
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n/an/a 1.51E+4n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411914
PNG
(IROMYCIN B)
Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)(C)O)[nH]c(=O)c(C)c1O
Show InChI InChI=1S/C19H29NO3/c1-6-8-15-16(20-18(22)14(3)17(15)21)11-10-13(2)9-7-12-19(4,5)23/h7,10,12,23H,6,8-9,11H2,1-5H3,(H2,20,21,22)/b12-7+,13-10+
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n/an/a 1.78E+4n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411919
PNG
(CHEMBL256863)
Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)(C)O)[nH]c(=O)c(C)c1OC(C)=O
Show InChI InChI=1S/C21H31NO4/c1-7-9-17-18(12-11-14(2)10-8-13-21(5,6)25)22-20(24)15(3)19(17)26-16(4)23/h8,11,13,25H,7,9-10,12H2,1-6H3,(H,22,24)/b13-8+,14-11+
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n/an/a>2.24E+4n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411916
PNG
(CHEMBL256051)
Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)C)[nH]c(=O)c(C)c1OC(C)=O
Show InChI InChI=1S/C21H31NO3/c1-7-9-18-19(13-12-15(4)11-8-10-14(2)3)22-21(24)16(5)20(18)25-17(6)23/h8,10,12,14H,7,9,11,13H2,1-6H3,(H,22,24)/b10-8+,15-12+
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n/an/a>2.34E+4n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411917
PNG
(CHEMBL256056)
Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)(C)O)[nH]c(=O)c(C)c1OC
Show InChI InChI=1S/C20H31NO3/c1-7-9-16-17(21-19(22)15(3)18(16)24-6)12-11-14(2)10-8-13-20(4,5)23/h8,11,13,23H,7,9-10,12H2,1-6H3,(H,21,22)/b13-8+,14-11+
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n/an/a>2.43E+4n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411918
PNG
(IROMYCIN F)
Show SMILES CCCC1C(C=CC(C)C\C=C\C(C)C)=NC(=O)C(C)(O)C1=O
Show InChI InChI=1S/C19H29NO3/c1-6-8-15-16(20-18(22)19(5,23)17(15)21)12-11-14(4)10-7-9-13(2)3/h7,9,11-15,23H,6,8,10H2,1-5H3/b9-7+,12-11?
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n/an/a>2.53E+4n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411903
PNG
(IROMYCIN E)
Show SMILES CCCC1(O)C(=O)C(C)C(=O)N=C1C=CC(C)C\C=C\C(C)C
Show InChI InChI=1S/C19H29NO3/c1-6-12-19(23)16(20-18(22)15(5)17(19)21)11-10-14(4)9-7-8-13(2)3/h7-8,10-11,13-15,23H,6,9,12H2,1-5H3/b8-7+,11-10?
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n/an/a>2.53E+4n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411912
PNG
(IROMYCIN D)
Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)O)[nH]c(=O)c(C)c1O
Show InChI InChI=1S/C18H27NO3/c1-5-7-15-16(19-18(22)14(4)17(15)21)11-10-12(2)8-6-9-13(3)20/h6,9-10,13,20H,5,7-8,11H2,1-4H3,(H2,19,21,22)/b9-6+,12-10+
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n/an/a>2.65E+4n/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


Bioorg Med Chem 16: 1738-46 (2008)

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


(Bos taurus)
BDBM50411915
PNG
(CHEMBL258095)
Show SMILES CCCc1c(C\C=C(/C)C\C=C\C(C)C)oc(=O)c(C)c1O
Show InChI InChI=1S/C19H28O3/c1-6-8-16-17(22-19(21)15(5)18(16)20)12-11-14(4)10-7-9-13(2)3/h7,9,11,13,20H,6,8,10,12H2,1-5H3/b9-7+,14-11+
PDB
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Article
PubMed
n/an/a>2.66E+4n/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


Bioorg Med Chem 16: 1738-46 (2008)

More data for this
Ligand-Target Pair