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

InChI Key: InChIKey=NAEUZWJTGUEVPA-KYZDWFFPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50094714   
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
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial


(Bos taurus)		BDBM50094714
PNG
(CHEMBL145073 | Methanesulfonic acid 1-(4-methanesu...)
Show SMILES CCCCCC[C@@H](CCC[C@H](OS(C)(=O)=O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)OS(C)(=O)=O)OS(C)(=O)=O |t:41|
Show InChI InChI=1S/C40H72O13S3/c1-6-7-8-18-22-33(51-54(3,42)43)23-20-25-39(53-56(5,46)47)37-29-27-35(50-37)34-26-28-36(49-34)38(52-55(4,44)45)24-19-16-14-12-10-9-11-13-15-17-21-32-30-31(2)48-40(32)41/h30-31,33-39H,6-29H2,1-5H3/t31-,33-,34+,35+,36+,37+,38+,39-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 14n/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