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Found 37 hits Enz. Inhib. hit(s) with Target = 'NADH-ubiquinone oxidoreductase' AND taxid = 9913   
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
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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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
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
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))
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
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))
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
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


(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
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
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
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
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
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
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))
BDBM92943
PNG
(Piperazine derivative, 7)
Show SMILES CCCCCCCCCCCCCCCCC(O)CN1CCN(CC(O)CCCC)CC1
Show InChI InChI=1S/C28H58N2O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-28(32)26-30-23-21-29(22-24-30)25-27(31)19-6-4-2/h27-28,31-32H,3-26H2,1-2H3
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n/an/a 110n/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))
BDBM50427133
PNG
(CHEMBL2323448)
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-/m1/s1
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n/an/a 270n/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))
BDBM50427134
PNG
(CHEMBL1834285)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@@H](OC1=O)C(F)(F)F
Show InChI InChI=1S/C35H61F3O5/c1-2-3-4-5-6-7-11-14-17-20-23-29(39)31-25-26-32(42-31)30(40)24-21-18-15-12-9-8-10-13-16-19-22-28-27-33(35(36,37)38)43-34(28)41/h27,29-33,39-40H,2-26H2,1H3/t29-,30-,31-,32-,33-/m1/s1
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n/an/a 310n/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))
BDBM50427132
PNG
(CHEMBL2323449)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](OC1=O)C(F)(F)F
Show InChI InChI=1S/C35H61F3O5/c1-2-3-4-5-6-7-11-14-17-20-23-29(39)31-25-26-32(42-31)30(40)24-21-18-15-12-9-8-10-13-16-19-22-28-27-33(35(36,37)38)43-34(28)41/h27,29-33,39-40H,2-26H2,1H3/t29-,30-,31-,32-,33+/m1/s1
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n/an/a 570n/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))
BDBM92951
PNG
(Piperazine derivative, 15)
Show SMILES CN(C[C@H](O)CCCCCCCc1ccccc1)[C@H]1CCCC[C@@H]1N(C)C[C@H](O)CCCCCCCc1ccccc1
Show InChI InChI=1S/C38H62N2O2/c1-39(31-35(41)27-17-7-3-5-11-21-33-23-13-9-14-24-33)37-29-19-20-30-38(37)40(2)32-36(42)28-18-8-4-6-12-22-34-25-15-10-16-26-34/h9-10,13-16,23-26,35-38,41-42H,3-8,11-12,17-22,27-32H2,1-2H3/t35-,36-,37+,38+/m1/s1
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n/an/a 670n/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))
BDBM144632
PNG
(US8952025, Compound 2, table 3)
Show SMILES CCCCCCCCCCc1nc(nc(C)c1O)N(C)C
Show InChI InChI=1S/C17H31N3O/c1-5-6-7-8-9-10-11-12-13-15-16(21)14(2)18-17(19-15)20(3)4/h21H,5-13H2,1-4H3
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n/an/a 829n/an/an/an/an/an/a



Arizona Board of Regents, A Body Corporate of the State of Arizona Acting for and on Behalf of Arizona State University

US Patent


Assay Description
Beef heart mitochondria were obtained by a large-scale procedure. Inverted submitochondrial particles (SMP) were prepared by the method of Matsuno-Ya...


US Patent US8952025 (2015)

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


(Bos taurus (Bovine))
BDBM92953
PNG
(Piperazine derivative, 17)
Show SMILES C(CCC[C@H]1CC[C@@H](O1)[C@H]1CC[C@H](CCCCCCCc2ccccc2)O1)CCCc1ccccc1
Show InChI InChI=1S/C34H50O2/c1(3-9-17-29-19-11-7-12-20-29)5-15-23-31-25-27-33(35-31)34-28-26-32(36-34)24-16-6-2-4-10-18-30-21-13-8-14-22-30/h7-8,11-14,19-22,31-34H,1-6,9-10,15-18,23-28H2/t31-,32-,33+,34+/m0/s1
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n/an/a 930n/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))
BDBM92958
PNG
(Piperazine derivative, 22)
Show SMILES C[N+]1(C[C@H](O)CCCCCc2ccccc2)CCN(C[C@H](O)CCCCCc2ccccc2)CC1
Show InChI InChI=1S/C31H49N2O2/c1-33(27-31(35)21-13-5-11-19-29-16-8-3-9-17-29)24-22-32(23-25-33)26-30(34)20-12-4-10-18-28-14-6-2-7-15-28/h2-3,6-9,14-17,30-31,34-35H,4-5,10-13,18-27H2,1H3/q+1/t30-,31-/m1/s1
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n/an/a 1.10E+3n/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))
BDBM92957
PNG
(Piperazine derivative, 21)
Show SMILES C(CCc1ccccc1)CN1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C24H34N2/c1-3-11-23(12-4-1)15-7-9-17-25-19-21-26(22-20-25)18-10-8-16-24-13-5-2-6-14-24/h1-6,11-14H,7-10,15-22H2
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n/an/a 1.30E+3n/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))
BDBM144633
PNG
(US8952025, Compound 3, table 3)
Show SMILES CN(C)c1nc(C)c(O)c(CCCCCCCCCCO)n1
Show InChI InChI=1S/C17H31N3O2/c1-14-16(22)15(19-17(18-14)20(2)3)12-10-8-6-4-5-7-9-11-13-21/h21-22H,4-13H2,1-3H3
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n/an/a 2.23E+3n/an/an/an/an/an/a



Arizona Board of Regents, A Body Corporate of the State of Arizona Acting for and on Behalf of Arizona State University

US Patent


Assay Description
Beef heart mitochondria were obtained by a large-scale procedure. Inverted submitochondrial particles (SMP) were prepared by the method of Matsuno-Ya...


US Patent US8952025 (2015)

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


(Bos taurus (Bovine))
BDBM92959
PNG
(Piperazine derivative, 23)
Show SMILES C[N+]1(C[C@H](O)CCCCCc2ccccc2)CC[N+](C)(C[C@H](O)CCCCCc2ccccc2)CC1
Show InChI InChI=1S/C32H52N2O2/c1-33(27-31(35)21-13-5-11-19-29-15-7-3-8-16-29)23-25-34(2,26-24-33)28-32(36)22-14-6-12-20-30-17-9-4-10-18-30/h3-4,7-10,15-18,31-32,35-36H,5-6,11-14,19-28H2,1-2H3/q+2/t31-,32-,33?,34?/m1/s1
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n/an/a 4.70E+3n/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))
BDBM144634
PNG
(US8952025, Compound 4, table 3)
Show SMILES CCCCCCCCCCc1nc(nc(C)c1O)N1C(C)CCC1C
Show InChI InChI=1/C21H37N3O/c1-5-6-7-8-9-10-11-12-13-19-20(25)18(4)22-21(23-19)24-16(2)14-15-17(24)3/h16-17,25H,5-15H2,1-4H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



Arizona Board of Regents, A Body Corporate of the State of Arizona Acting for and on Behalf of Arizona State University

US Patent


Assay Description
Beef heart mitochondria were obtained by a large-scale procedure. Inverted submitochondrial particles (SMP) were prepared by the method of Matsuno-Ya...


US Patent US8952025 (2015)

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


(Bos taurus (Bovine))
BDBM92940
PNG
(Piperazine derivative, 4)
Show SMILES CCCCCC(O)CN1CCN(CC(O)CCCCC)CC1
Show InChI InChI=1S/C18H38N2O2/c1-3-5-7-9-17(21)15-19-11-13-20(14-12-19)16-18(22)10-8-6-4-2/h17-18,21-22H,3-16H2,1-2H3
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n/an/a>2.20E+4n/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))
BDBM92952
PNG
(Piperazine derivative, 16)
Show SMILES CN(C)C[C@H](O)CCCCCCc1ccccc1
Show InChI InChI=1S/C16H27NO/c1-17(2)14-16(18)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,16,18H,3-4,6,9-10,13-14H2,1-2H3/t16-/m1/s1
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n/an/a>3.00E+4n/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