Found 94 hits with Last Name = 'nishioka' and Initial = 't' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50509099
(CHEMBL4565294)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O4S/c1-14-7-12-17(24-29(25,26)20-6-4-3-5-18(20)27-2)19(13-14)28-16-10-8-15(9-11-16)21(22)23/h3-13,24H,1-2H3,(H3,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain after 60 mins by liquid scintillation counting method |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50509099
(CHEMBL4565294)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O4S/c1-14-7-12-17(24-29(25,26)20-6-4-3-5-18(20)27-2)19(13-14)28-16-10-8-15(9-11-16)21(22)23/h3-13,24H,1-2H3,(H3,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from delta opioid receptor in rat brain after 60 mins by liquid scintillation counting method |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50509099
(CHEMBL4565294)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O4S/c1-14-7-12-17(24-29(25,26)20-6-4-3-5-18(20)27-2)19(13-14)28-16-10-8-15(9-11-16)21(22)23/h3-13,24H,1-2H3,(H3,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.43E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in rat brain after 60 mins by liquid scintillation counting method |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50509101
(CHEMBL4460098)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25) | PDB
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 2.47E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from delta opioid receptor in rat brain after 60 mins by liquid scintillation counting method |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50509101
(CHEMBL4460098)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25) | PDB
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 3.73E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain after 60 mins by liquid scintillation counting method |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50509101
(CHEMBL4460098)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25) | PDB
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PC cid
PC sid
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UniChem
| Article
PubMed
| 1.21E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in rat brain after 60 mins by liquid scintillation counting method |
J Med Chem 62: 8631-8641 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50116000
((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 | PDB
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PC cid
PC sid
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Similars
| PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
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PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM92960
(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 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50130144
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM92945
(Piperazine derivative, 10)Show SMILES O[C@H](CCCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCCc2ccccc2)CC1 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92946
(Piperazine derivative, 9)Show SMILES O[C@H](CCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCc2ccccc2)CC1 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein, mitochondrial
(Bos taurus) | BDBM50411085
(CHEMBL464549)Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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 | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92949
(Piperazine derivative, 13)Show SMILES O[C@H](CCCCCCCc1ccccc1)CN1CCCN(C[C@H](O)CCCCCCCc2ccccc2)CC1 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92955
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92948
(Piperazine derivative, 12)Show SMILES O[C@@H](CCCCCCc1ccccc1)CN1CCN(C[C@@H](O)CCCCCCc2ccccc2)CC1 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92941
(Piperazine derivative, 5)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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50139593
((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 | PDB
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM92950
(Piperazine derivative, 14)Show SMILES O[C@H](CCCCCCCc1ccccc1)CN1C[C@H]2C[C@@H]1CN2C[C@H](O)CCCCCCCc1ccccc1 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50139595
((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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Bos taurus) | BDBM50411084
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/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 | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92956
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92947
(Piperazine derivative, 11)Show SMILES O[C@H](CCCCCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCCCCc2ccccc2)CC1 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein, mitochondrial
(Bos taurus) | BDBM50411092
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50411088
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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 | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92944
(Piperazine derivative, 8)Show SMILES O[C@H](CCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCc2ccccc2)CC1 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92954
(Piperazine derivative, 18)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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92942
(Piperazine derivative, 6)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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein, mitochondrial
(Bos taurus) | BDBM50411091
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50411087
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50411082
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50411083
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/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,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50139594
((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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM92943
(Piperazine derivative, 7)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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein, mitochondrial
(Bos taurus) | BDBM50411093
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/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,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50130145
((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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Bos taurus) | BDBM50411089
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/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 | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92951
(Piperazine derivative, 15)Show SMILES CN(C[C@H](O)CCCCCCCc1ccccc1)[C@H]1CCCC[C@@H]1N(C)C[C@H](O)CCCCCCCc1ccccc1 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein, mitochondrial
(Bos taurus) | BDBM50411090
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/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 | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92953
(Piperazine derivative, 17)Show SMILES C(CCC[C@H]1CC[C@@H](O1)[C@H]1CC[C@H](CCCCCCCc2ccccc2)O1)CCCc1ccccc1 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92958
(Piperazine derivative, 22)Show SMILES C[N+]1(C[C@H](O)CCCCCc2ccccc2)CCN(C[C@H](O)CCCCCc2ccccc2)CC1 |r| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92957
(Piperazine derivative, 21)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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
Acyl carrier protein, mitochondrial
(Bos taurus) | BDBM50411086
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
(Bos taurus) | BDBM50130143
((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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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, mitochondrial
(Bos taurus) | BDBM50130143
((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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92959
(Piperazine derivative, 23)Show SMILES C[N+]1(C[C@H](O)CCCCCc2ccccc2)CC[N+](C)(C[C@H](O)CCCCCc2ccccc2)CC1 |r,wU:21.22,wD:3.3,(-4.72,3.56,;-3.63,2.48,;-3.63,4.02,;-2.3,4.79,;-2.3,6.33,;-.96,4.02,;.37,4.79,;1.7,4.02,;3.04,4.79,;4.37,4.02,;5.71,4.79,;5.71,6.33,;7.04,7.1,;8.37,6.33,;8.37,4.79,;7.04,4.02,;-4.96,1.71,;-4.96,.17,;-3.63,-.6,;-4.72,-1.69,;-3.63,-2.14,;-2.3,-2.91,;-2.3,-4.45,;-.96,-2.14,;.37,-2.91,;1.7,-2.14,;3.04,-2.91,;4.37,-2.14,;5.71,-2.91,;5.71,-4.45,;7.04,-5.23,;8.37,-4.45,;8.37,-2.91,;7.04,-2.14,;-2.3,.17,;-2.3,1.71,)| 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92940
(Piperazine derivative, 4)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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
NADH-ubiquinone oxidoreductase chain 1
(Bos taurus (Bovine)) | BDBM92952
(Piperazine derivative, 16)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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
| Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I). |
Biochemistry 47: 10816-26 (2008)
Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ |
More data for this
Ligand-Target Pair | |
Sucrase-isomaltase, intestinal
(Homo sapiens (Human)) | BDBM50009001
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H | PDB
MMDB
Reactome pathway
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| Purchase
CHEMBL
MCE
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PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by ChEMBL
| Assay Description
Inhibition of human intestinal sucrase in human Caco2 cell membrane |
J Nat Prod 61: 1413-5 (1999)
Article DOI: 10.1021/np980163p
BindingDB Entry DOI: 10.7270/Q2HX1CFB |
More data for this
Ligand-Target Pair | |
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