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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Palmitoyl-CoA oxidase' and Ligand = 'BDBM50138630'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50138630
PNG
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)N[C@H]4CCc5ccccc45)CC3)ccc2s1
Show InChI InChI=1S/C26H32N4O3S/c1-18-27-24-14-21(7-9-25(24)34-18)33-17-20(31)15-29-10-12-30(13-11-29)16-26(32)28-23-8-6-19-4-2-3-5-22(19)23/h2-5,7,9,14,20,23,31H,6,8,10-13,15-17H2,1H3,(H,28,32)/t20-,23+/m1/s1
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PC cid
PC sid
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PubMed
n/an/a 2.20E+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