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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'NADH-ubiquinone oxidoreductase subunit B14.7' 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 subunit B14.7


(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

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine heart mitochondrial NADH ubiquinone oxidoreductase (complex I)


Bioorg Med Chem Lett 12: 2089-92 (2002)

More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase subunit B14.7


(Bos taurus)
BDBM50115999
PNG
((S)-3-{(R)-13-Hydroxy-13-[(2R,5R,2'R,5'R)-5'-((R)-...)
Show SMILES C[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/C28H48O6/c1-20-19-22(28(31)32-20)13-11-9-7-5-3-4-6-8-10-12-14-23(30)25-16-18-27(34-25)26-17-15-24(33-26)21(2)29/h19-21,23-27,29-30H,3-18H2,1-2H3/t20-,21+,23+,24+,25+,26+,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine heart mitochondrial NADH ubiquinone oxidoreductase (complex I)


Bioorg Med Chem Lett 12: 2089-92 (2002)

More data for this
Ligand-Target Pair