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BDBM50138619 2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-N-((S)-1-naphthalen-2-yl-ethyl)-acetamide::CHEMBL153667

SMILES: C[C@H](NC(=O)CN1CCN(C[C@@H](O)COc2ccc3sc(C)nc3c2)CC1)c1ccc2ccccc2c1

InChI Key: InChIKey=ZFBBPHDPDPYJOR-NBGIEHNGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138619   
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)
BDBM50138619
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)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H34N4O3S/c1-20(23-8-7-22-5-3-4-6-24(22)15-23)30-29(35)18-33-13-11-32(12-14-33)17-25(34)19-36-26-9-10-28-27(16-26)31-21(2)37-28/h3-10,15-16,20,25,34H,11-14,17-19H2,1-2H3,(H,30,35)/t20-,25+/m0/s1
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MMDB

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n/an/a 150n/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