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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 342.5
BDBM50130143
Wt: 319.4
BDBM50411903
Wt: 303.4
BDBM50411904
Purchase
Wt: 318.4
BDBM50411906
Wt: 317.4
BDBM50411907
Wt: 292.4
BDBM50411908
Wt: 291.4
BDBM50411909
Wt: 317.4
BDBM50411910
Wt: 307.4
BDBM50411911
Wt: 305.4
BDBM50411912
Wt: 289.4
BDBM50411913
Wt: 319.4
BDBM50411914
Wt: 304.4
BDBM50411915
Wt: 333.4
BDBM50411917
Wt: 319.4
BDBM50411918
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   
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
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(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 complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.


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


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


Article DOI: 10.1016/j.bmcl.2006.03.082
BindingDB Entry DOI: 10.7270/Q2Z60Q8N
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
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+
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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)


Article DOI: 10.1016/j.bmc.2007.11.023
BindingDB Entry DOI: 10.7270/Q2V40WFB
More data for this
Ligand-Target Pair