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BDBM50156413 (R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{(S)-2-methyl-4-[5-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethyl]-piperazin-1-yl}-propan-2-ol::CHEMBL364366

SMILES: C[C@H]1CN(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)CCN1C[C@@H](O)COc1ccc2sc(C)nc2c1

InChI Key: InChIKey=AICXVAPPRIPRMH-OXJNMPFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50156413   
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)
BDBM50156413
PNG
((R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{(S)-2-met...)
Show SMILES C[C@H]1CN(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)CCN1C[C@@H](O)COc1ccc2sc(C)nc2c1
Show InChI InChI=1S/C26H28F3N5O3S/c1-16-12-33(14-24-31-25(37-32-24)18-3-5-19(6-4-18)26(27,28)29)9-10-34(16)13-20(35)15-36-21-7-8-23-22(11-21)30-17(2)38-23/h3-8,11,16,20,35H,9-10,12-15H2,1-2H3/t16-,20+/m0/s1
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PC cid
PC sid
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Article
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n/an/a 250n/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria


Bioorg Med Chem Lett 14: 6017-21 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.077
More data for this
Ligand-Target Pair