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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'kenmochi' and Initial = 'a'   
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,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(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 |t:38|
Show InChI InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3/t29-,31+,32+,33+,34+,35+,36+/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration needed to halve the control NADH oxidase activity in bovine heart submitochondrial particles (SMP)


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


BindingDB Entry DOI: 10.7270/Q2ZC8290
More data for this
Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(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 |r,t:38|
Show InChI InChI=1S/C36H64O7/c1-3-4-5-6-7-10-13-16-19-30(38)32-21-23-34(42-32)35-24-22-33(43-35)31(39)20-17-14-11-8-9-12-15-18-29(37)26-28-25-27(2)41-36(28)40/h25,27,29-35,37-39H,3-24,26H2,1-2H3/t27?,29?,30-,31-,32+,33+,34+,35+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.


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


BindingDB Entry DOI: 10.7270/Q2N58MWC
More data for this
Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(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 |t:38|
Show InChI InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3/t29-,31+,32+,33+,34+,35+,36+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.


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


BindingDB Entry DOI: 10.7270/Q2N58MWC
More data for this
Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(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 |w:34.35|
Show InChI InChI=1S/C41H70O8/c1-5-6-7-8-9-15-18-21-24-32(42)34-26-28-36(48-34)37-29-27-35(49-37)33(43)25-22-19-16-13-11-10-12-14-17-20-23-31-30(2)38(44)40(46-3)41(47-4)39(31)45/h20,23,32-37,42-45H,5-19,21-22,24-29H2,1-4H3/t32-,33-,34-,35-,36-,37-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.


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


BindingDB Entry DOI: 10.7270/Q2N58MWC
More data for this
Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(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 |t:35|
Show InChI InChI=1S/C37H66O5/c1-3-4-5-6-7-15-18-21-24-33(38)34-27-28-36(42-34)35-26-25-32(41-35)23-20-17-14-12-10-8-9-11-13-16-19-22-31-29-30(2)40-37(31)39/h29-30,32-36,38H,3-28H2,1-2H3/t30-,32-,33+,34+,35+,36+/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration needed to halve the control NADH oxidase activity in bovine heart submitochondrial particles (SMP)


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


BindingDB Entry DOI: 10.7270/Q2ZC8290
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
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 |w:6.5|
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 3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(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 |t:37|
Show InChI InChI=1S/C37H66O5/c1-3-4-5-6-7-10-14-17-20-23-32-25-26-35(41-32)36-28-27-34(42-36)33(38)24-21-18-15-12-9-8-11-13-16-19-22-31-29-30(2)40-37(31)39/h29-30,32-36,38H,3-28H2,1-2H3/t30-,32-,33+,34+,35+,36+/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration needed to halve the control NADH oxidase activity in bovine heart submitochondrial particles (SMP)


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


BindingDB Entry DOI: 10.7270/Q2ZC8290
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488011
PNG
(CHEMBL2272021)
Show SMILES COC1=C(OC)C(=O)C(CN(C)C(=O)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:32|
Show InChI InChI=1S/C28H31NO6/c1-17-22(24(31)26(34-7)25(33-6)23(17)30)16-29(5)27(32)18-8-12-20(13-9-18)35-21-14-10-19(11-15-21)28(2,3)4/h8-15H,16H2,1-7H3
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n/an/a 77n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(Bos taurus)
BDBM50139594
PNG
((S)-5-Methyl-3-[13-((2R,5S,1'S,3'R)-5'-undecyl-oct...)
Show SMILES CCCCCCCCCCC[C@H]1CC[C@@H](O1)[C@H]1CC[C@H](CCCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1 |t:34|
Show InChI InChI=1S/C37H66O4/c1-3-4-5-6-7-11-15-18-21-24-33-26-28-35(40-33)36-29-27-34(41-36)25-22-19-16-13-10-8-9-12-14-17-20-23-32-30-31(2)39-37(32)38/h30-31,33-36H,3-29H2,1-2H3/t31-,33-,34-,35+,36+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration needed to halve the control NADH oxidase activity in bovine heart submitochondrial particles (SMP)


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


BindingDB Entry DOI: 10.7270/Q2ZC8290
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488011
PNG
(CHEMBL2272021)
Show SMILES COC1=C(OC)C(=O)C(CN(C)C(=O)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:32|
Show InChI InChI=1S/C28H31NO6/c1-17-22(24(31)26(34-7)25(33-6)23(17)30)16-29(5)27(32)18-8-12-20(13-9-18)35-21-14-10-19(11-15-21)28(2,3)4/h8-15H,16H2,1-7H3
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n/an/a 88n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-DU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(Bos taurus)
BDBM50130145
PNG
((R)-1-[(5R,2'R,5'R)-5'-((R)-1-Hydroxy-undecyl)-oct...)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCc1c(C)c(OC)c(OC)c(OC)c1OC
Show InChI InChI=1S/C43H76O8/c1-7-8-9-10-11-17-20-23-26-34(44)36-28-30-38(50-36)39-31-29-37(51-39)35(45)27-24-21-18-15-13-12-14-16-19-22-25-33-32(2)40(46-3)42(48-5)43(49-6)41(33)47-4/h34-39,44-45H,7-31H2,1-6H3/t34-,35-,36-,37-,38-,39-/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 complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.


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


BindingDB Entry DOI: 10.7270/Q2N58MWC
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488012
PNG
(CHEMBL2272023)
Show SMILES COC1=C(OC)C(=O)C(CNC(=O)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:31|
Show InChI InChI=1S/C27H29NO6/c1-16-21(23(30)25(33-6)24(32-5)22(16)29)15-28-26(31)17-7-11-19(12-8-17)34-20-13-9-18(10-14-20)27(2,3)4/h7-14H,15H2,1-6H3,(H,28,31)
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n/an/a 340n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488007
PNG
(CHEMBL2272022)
Show SMILES CCN(CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)c1ccc(Oc2ccc(cc2)C(C)(C)C)cc1 |c:4,t:11|
Show InChI InChI=1S/C29H33NO6/c1-8-30(17-23-18(2)24(31)26(34-6)27(35-7)25(23)32)28(33)19-9-13-21(14-10-19)36-22-15-11-20(12-16-22)29(3,4)5/h9-16H,8,17H2,1-7H3
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n/an/a 370n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488008
PNG
(CHEMBL2272026)
Show SMILES COC1=C(OC)C(=O)C(CCN(C)C(=O)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:33|
Show InChI InChI=1S/C29H33NO6/c1-18-23(25(32)27(35-7)26(34-6)24(18)31)16-17-30(5)28(33)19-8-12-21(13-9-19)36-22-14-10-20(11-15-22)29(2,3)4/h8-15H,16-17H2,1-7H3
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n/an/a 470n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488012
PNG
(CHEMBL2272023)
Show SMILES COC1=C(OC)C(=O)C(CNC(=O)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:31|
Show InChI InChI=1S/C27H29NO6/c1-16-21(23(30)25(33-6)24(32-5)22(16)29)15-28-26(31)17-7-11-19(12-8-17)34-20-13-9-18(10-14-20)27(2,3)4/h7-14H,15H2,1-6H3,(H,28,31)
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n/an/a 530n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-DU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488009
PNG
(CHEMBL2272027)
Show SMILES COC1=C(OC)C(=O)C(CCCCCCN(C)C(=O)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:37|
Show InChI InChI=1S/C33H41NO6/c1-22-27(29(36)31(39-7)30(38-6)28(22)35)12-10-8-9-11-21-34(5)32(37)23-13-17-25(18-14-23)40-26-19-15-24(16-20-26)33(2,3)4/h13-20H,8-12,21H2,1-7H3
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n/an/a 610n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-DU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488007
PNG
(CHEMBL2272022)
Show SMILES CCN(CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)c1ccc(Oc2ccc(cc2)C(C)(C)C)cc1 |c:4,t:11|
Show InChI InChI=1S/C29H33NO6/c1-8-30(17-23-18(2)24(31)26(34-6)27(35-7)25(23)32)28(33)19-9-13-21(14-10-19)36-22-15-11-20(12-16-22)29(3,4)5/h9-16H,8,17H2,1-7H3
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n/an/a 630n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-DU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488005
PNG
(CHEMBL2272029)
Show SMILES CN(C)C(=O)c1ccc(Oc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C19H23NO2/c1-19(2,3)15-8-12-17(13-9-15)22-16-10-6-14(7-11-16)18(21)20(4)5/h6-13H,1-5H3
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n/an/a 650n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488008
PNG
(CHEMBL2272026)
Show SMILES COC1=C(OC)C(=O)C(CCN(C)C(=O)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:33|
Show InChI InChI=1S/C29H33NO6/c1-18-23(25(32)27(35-7)26(34-6)24(18)31)16-17-30(5)28(33)19-8-12-21(13-9-19)36-22-14-10-20(11-15-22)29(2,3)4/h8-15H,16-17H2,1-7H3
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n/an/a 760n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-DU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488010
PNG
(CHEMBL2272025)
Show SMILES CCCCc1ccc(Oc2ccc(cc2)C(=O)N(C)CC2=C(C)C(=O)C(OC)=C(OC)C2=O)cc1 |c:21,t:28|
Show InChI InChI=1S/C28H31NO6/c1-6-7-8-19-9-13-21(14-10-19)35-22-15-11-20(12-16-22)28(32)29(3)17-23-18(2)24(30)26(33-4)27(34-5)25(23)31/h9-16H,6-8,17H2,1-5H3
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n/an/a 840n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-DU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488010
PNG
(CHEMBL2272025)
Show SMILES CCCCc1ccc(Oc2ccc(cc2)C(=O)N(C)CC2=C(C)C(=O)C(OC)=C(OC)C2=O)cc1 |c:21,t:28|
Show InChI InChI=1S/C28H31NO6/c1-6-7-8-19-9-13-21(14-10-19)35-22-15-11-20(12-16-22)28(32)29(3)17-23-18(2)24(30)26(33-4)27(34-5)25(23)31/h9-16H,6-8,17H2,1-5H3
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n/an/a 970n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488009
PNG
(CHEMBL2272027)
Show SMILES COC1=C(OC)C(=O)C(CCCCCCN(C)C(=O)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:37|
Show InChI InChI=1S/C33H41NO6/c1-22-27(29(36)31(39-7)30(38-6)28(22)35)12-10-8-9-11-21-34(5)32(37)23-13-17-25(18-14-23)40-26-19-15-24(16-20-26)33(2,3)4/h13-20H,8-12,21H2,1-7H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488013
PNG
(CHEMBL2272024)
Show SMILES COC1=C(OC)C(=O)C(CC(=O)N(C)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:32|
Show InChI InChI=1S/C28H31NO6/c1-17-22(25(32)27(34-7)26(33-6)24(17)31)16-23(30)29(5)19-10-14-21(15-11-19)35-20-12-8-18(9-13-20)28(2,3)4/h8-15H,16H2,1-7H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488013
PNG
(CHEMBL2272024)
Show SMILES COC1=C(OC)C(=O)C(CC(=O)N(C)c2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)=C(C)C1=O |c:2,t:32|
Show InChI InChI=1S/C28H31NO6/c1-17-22(25(32)27(34-7)26(33-6)24(17)31)16-23(30)29(5)19-10-14-21(15-11-19)35-20-12-8-18(9-13-20)28(2,3)4/h8-15H,16H2,1-7H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-DU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, 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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PubMed
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)


BindingDB Entry DOI: 10.7270/Q2N58MWC
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488006
PNG
(CHEMBL2272028)
Show SMILES CCCCCCCCCCC(=O)N(C)CC1=C(C)C(=O)C(OC)=C(OC)C1=O |c:15,t:22|
Show InChI InChI=1S/C22H35NO5/c1-6-7-8-9-10-11-12-13-14-18(24)23(3)15-17-16(2)19(25)21(27-4)22(28-5)20(17)26/h6-15H2,1-5H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-DU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488006
PNG
(CHEMBL2272028)
Show SMILES CCCCCCCCCCC(=O)N(C)CC1=C(C)C(=O)C(OC)=C(OC)C1=O |c:15,t:22|
Show InChI InChI=1S/C22H35NO5/c1-6-7-8-9-10-11-12-13-14-18(24)23(3)15-17-16(2)19(25)21(27-4)22(28-5)20(17)26/h6-15H2,1-5H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay


Biochim Biophys Acta 1556: 106-12 (2002)


Article DOI: 10.1016/s0005-2728(02)00341-9
BindingDB Entry DOI: 10.7270/Q2V69NG0
More data for this
Ligand-Target Pair