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BDBM50135525 (S)-3-{(2R,13S)-8-[2-(3-Benzyloxy-4-methoxy-phenyl)-ethylamino]-2,13-dihydroxy-13-[(2S,5S)-5-((S)-1-hydroxy-tridecyl)-tetrahydro-furan-2-yl]-tridecyl}-5-methyl-5H-furan-2-one::CHEMBL133297

SMILES: CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCC(CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O)NCCc1ccc(OC)c(OCc2ccccc2)c1

InChI Key: InChIKey=CGWXNUOTWPFOAC-AOZCBDOCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50135525   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)
BDBM50135525
PNG
((S)-3-{(2R,13S)-8-[2-(3-Benzyloxy-4-methoxy-phenyl...)
Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCC(CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O)NCCc1ccc(OC)c(OCc2ccccc2)c1
Show InChI InChI=1S/C51H81NO8/c1-4-5-6-7-8-9-10-11-12-19-27-45(54)47-31-32-48(60-47)46(55)28-21-20-25-43(24-17-14-18-26-44(53)37-42-35-39(2)59-51(42)56)52-34-33-40-29-30-49(57-3)50(36-40)58-38-41-22-15-13-16-23-41/h13,15-16,22-23,29-30,35-36,39,43-48,52-55H,4-12,14,17-21,24-28,31-34,37-38H2,1-3H3/t39-,43?,44+,45-,46-,47-,48-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>150n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.


Bioorg Med Chem Lett 13: 4101-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.045
BindingDB Entry DOI: 10.7270/Q2G44PQJ
More data for this
Ligand-Target Pair