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BDBM50138615 2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-N-quinolin-8-yl-acetamide::CHEMBL152961

SMILES: Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc5cccnc45)CC3)ccc2s1

InChI Key: InChIKey=VGAYGVMURZZZPI-HXUWFJFHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138615   
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)
BDBM50138615
PNG
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc5cccnc45)CC3)ccc2s1
Show InChI InChI=1S/C26H29N5O3S/c1-18-28-23-14-21(7-8-24(23)35-18)34-17-20(32)15-30-10-12-31(13-11-30)16-25(33)29-22-6-2-4-19-5-3-9-27-26(19)22/h2-9,14,20,32H,10-13,15-17H2,1H3,(H,29,33)/t20-/m1/s1
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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