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BDBM50291656 (R)-3-{(R)-13-Hydroxy-13-[(2S,5R,2'S,5'R)-5'-((S)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-tridecyl}-5-methyl-5H-furan-2-one::CHEMBL13700

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

InChI Key: InChIKey=URLVCROWVOSNPT-XWWWTYMSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291656   
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)		BDBM50291656
PNG
((R)-3-{(R)-13-Hydroxy-13-[(2S,5R,2'S,5'R)-5'-((S)-...)
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 |t:38|
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+/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart

Bioorg Med Chem Lett 7: 1113-1118 (1997)


Article DOI: 10.1016/S0960-894X(97)00171-6
BindingDB Entry DOI: 10.7270/Q20P101B
More data for this
Ligand-Target Pair