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BDBM50138621 2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-N-((S)-1-phenyl-ethyl)-acetamide::CHEMBL356634

SMILES: C[C@H](NC(=O)CN1CCN(C[C@@H](O)COc2ccc3sc(C)nc3c2)CC1)c1ccccc1

InChI Key: InChIKey=DXLARSABSJLTBU-GHTZIAJQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138621   
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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50138621
PNG
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)
Show SMILES C[C@H](NC(=O)CN1CCN(C[C@@H](O)COc2ccc3sc(C)nc3c2)CC1)c1ccccc1
Show InChI InChI=1S/C25H32N4O3S/c1-18(20-6-4-3-5-7-20)26-25(31)16-29-12-10-28(11-13-29)15-21(30)17-32-22-8-9-24-23(14-22)27-19(2)33-24/h3-9,14,18,21,30H,10-13,15-17H2,1-2H3,(H,26,31)/t18-,21+/m0/s1
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PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



CV Therapeutics

Curated by ChEMBL


Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation.


Bioorg Med Chem Lett 14: 549-52 (2003)

More data for this
Ligand-Target Pair