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BDBM50138608 2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-N-(3,4,5-trichloro-phenyl)-acetamide::CHEMBL345479

SMILES: Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cc(Cl)c(Cl)c(Cl)c4)CC3)ccc2s1

InChI Key: InChIKey=ACZFEKKVAQKYSC-MRXNPFEDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138608   
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)		BDBM50138608
PNG
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cc(Cl)c(Cl)c(Cl)c4)CC3)ccc2s1
Show InChI InChI=1S/C23H25Cl3N4O3S/c1-14-27-20-10-17(2-3-21(20)34-14)33-13-16(31)11-29-4-6-30(7-5-29)12-22(32)28-15-8-18(24)23(26)19(25)9-15/h2-3,8-10,16,31H,4-7,11-13H2,1H3,(H,28,32)/t16-/m1/s1
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PubMed
n/an/a 2.20E+4n/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)


BindingDB Entry DOI: 10.7270/Q2GH9HD4
More data for this
Ligand-Target Pair