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PubMed code 14741288

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Mitochondrial complex I; NADH oxidoreductase


(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
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

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2003.11.021
BindingDB Entry DOI: 10.7270/Q2ZC8290
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(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
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2003.11.021
BindingDB Entry DOI: 10.7270/Q2ZC8290
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(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
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

Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2003.11.021
BindingDB Entry DOI: 10.7270/Q2ZC8290
More data for this
Ligand-Target Pair
Mitochondrial complex I; NADH oxidoreductase


(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
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

Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2003.11.021
BindingDB Entry DOI: 10.7270/Q2ZC8290
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%