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BDBM50138618 CHEMBL152844::N-[4-(4-Chloro-phenoxy)-phenyl]-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)Nc4ccc(Oc5ccc(Cl)cc5)cc4)CC3)ccc2s1

InChI Key: InChIKey=KVMBIACTNDOBRU-HSZRJFAPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138618   
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)
BDBM50138618
PNG
(CHEMBL152844 | N-[4-(4-Chloro-phenoxy)-phenyl]-2-{...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(Oc5ccc(Cl)cc5)cc4)CC3)ccc2s1
Show InChI InChI=1S/C29H31ClN4O4S/c1-20-31-27-16-26(10-11-28(27)39-20)37-19-23(35)17-33-12-14-34(15-13-33)18-29(36)32-22-4-8-25(9-5-22)38-24-6-2-21(30)3-7-24/h2-11,16,23,35H,12-15,17-19H2,1H3,(H,32,36)/t23-/m1/s1
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MMDB

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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