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BDBM50138613 2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-N-p-tolyl-acetamide::CHEMBL153502

SMILES: Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(C)cc4)CC3)ccc2s1

InChI Key: InChIKey=BVJMRSVAMXZATP-HXUWFJFHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138613   
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)
BDBM50138613
PNG
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(C)cc4)CC3)ccc2s1
Show InChI InChI=1S/C24H30N4O3S/c1-17-3-5-19(6-4-17)26-24(30)15-28-11-9-27(10-12-28)14-20(29)16-31-21-7-8-23-22(13-21)25-18(2)32-23/h3-8,13,20,29H,9-12,14-16H2,1-2H3,(H,26,30)/t20-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 1.70E+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