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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 = 'BDBM50138610'   
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)
BDBM50138610
PNG
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc5ncccc45)CC3)ccc2s1
Show InChI InChI=1S/C26H29N5O3S/c1-18-28-24-14-20(7-8-25(24)35-18)34-17-19(32)15-30-10-12-31(13-11-30)16-26(33)29-23-6-2-5-22-21(23)4-3-9-27-22/h2-9,14,19,32H,10-13,15-17H2,1H3,(H,29,33)/t19-/m1/s1
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PC cid
PC sid
UniChem
PubMed
n/an/a 4.70E+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