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PubMed code 23375227

Compile data set for download or QSAR
Found 6 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
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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PC cid
PC sid
UniChem

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Article
PubMed
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


Bioorg Med Chem Lett 23: 1217-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.018
BindingDB Entry DOI: 10.7270/Q28P61VW
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
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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


Bioorg Med Chem Lett 23: 1217-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.018
BindingDB Entry DOI: 10.7270/Q28P61VW
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
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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


Bioorg Med Chem Lett 23: 1217-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.018
BindingDB Entry DOI: 10.7270/Q28P61VW
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


Bioorg Med Chem Lett 23: 1217-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.018
BindingDB Entry DOI: 10.7270/Q28P61VW
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


Bioorg Med Chem Lett 23: 1217-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.018
BindingDB Entry DOI: 10.7270/Q28P61VW
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


Bioorg Med Chem Lett 23: 1217-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.018
BindingDB Entry DOI: 10.7270/Q28P61VW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%