BindingDB logo
myBDB logout

BDBM50138629 2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-N-(5,6,7,8-tetrahydro-naphthalen-2-yl)-acetamide::CHEMBL348498

SMILES: Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc5CCCCc5c4)CC3)ccc2s1

InChI Key: InChIKey=ANFNBUFTWCPRPQ-HSZRJFAPSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138629   
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)
BDBM50138629
PNG
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc5CCCCc5c4)CC3)ccc2s1
Show InChI InChI=1S/C27H34N4O3S/c1-19-28-25-15-24(8-9-26(25)35-19)34-18-23(32)16-30-10-12-31(13-11-30)17-27(33)29-22-7-6-20-4-2-3-5-21(20)14-22/h6-9,14-15,23,32H,2-5,10-13,16-18H2,1H3,(H,29,33)/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 610n/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