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BDBM50094731 Acetic acid 1-[5'-(1,5-diacetoxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-13-(5-methyl-2-oxo-2,5-dihydro-furan-3-yl)-tridecyl ester::CHEMBL145563

SMILES: CCCCCC[C@@H](CCC[C@H](OC(C)=O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)OC(C)=O)OC(C)=O

InChI Key: InChIKey=YGRBMDQABYMYPP-DPGFWMLMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50094731   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)		BDBM50094731
PNG
(Acetic acid 1-[5'-(1,5-diacetoxy-undecyl)-octahydr...)
Show SMILES CCCCCC[C@@H](CCC[C@H](OC(C)=O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)OC(C)=O)OC(C)=O |t:40|
Show InChI InChI=1S/C43H72O10/c1-6-7-8-18-22-36(49-32(3)44)23-20-25-38(51-34(5)46)40-27-29-42(53-40)41-28-26-39(52-41)37(50-33(4)45)24-19-16-14-12-10-9-11-13-15-17-21-35-30-31(2)48-43(35)47/h30-31,36-42H,6-29H2,1-5H3/t31-,36-,37+,38-,39+,40+,41+,42+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity.

J Med Chem 43: 4793-800 (2000)


BindingDB Entry DOI: 10.7270/Q2FN16WQ
More data for this
Ligand-Target Pair