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BDBM50138626 CHEMBL152947::N-(4-Chloro-benzyl)-2-{4-[(R)-2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-acetamide

SMILES: Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)NCc4ccc(Cl)cc4)CC3)ccc2s1

InChI Key: InChIKey=NUOWEXKOBWCGHW-HXUWFJFHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138626   
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)
BDBM50138626
PNG
(CHEMBL152947 | N-(4-Chloro-benzyl)-2-{4-[(R)-2-hyd...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)NCc4ccc(Cl)cc4)CC3)ccc2s1
Show InChI InChI=1S/C24H29ClN4O3S/c1-17-27-22-12-21(6-7-23(22)33-17)32-16-20(30)14-28-8-10-29(11-9-28)15-24(31)26-13-18-2-4-19(25)5-3-18/h2-7,12,20,30H,8-11,13-16H2,1H3,(H,26,31)/t20-/m1/s1
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MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+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