BindingDB logo
myBDB logout

BDBM50156429 (R)-1-{4-[5-(4-Isopropyl-phenyl)-[1,2,4]oxadiazol-3-ylmethyl]-piperazin-1-yl}-3-(2-methyl-benzothiazol-5-yloxy)-propan-2-ol::CHEMBL186975

SMILES: CC(C)c1ccc(cc1)-c1nc(CN2CCN(C[C@@H](O)COc3ccc4sc(C)nc4c3)CC2)no1

InChI Key: InChIKey=ZNMQOIGIWXNDAH-JOCHJYFZSA-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 = 50156429   
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)
BDBM50156429
PNG
((R)-1-{4-[5-(4-Isopropyl-phenyl)-[1,2,4]oxadiazol-...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(CN2CCN(C[C@@H](O)COc3ccc4sc(C)nc4c3)CC2)no1
Show InChI InChI=1S/C27H33N5O3S/c1-18(2)20-4-6-21(7-5-20)27-29-26(30-35-27)16-32-12-10-31(11-13-32)15-22(33)17-34-23-8-9-25-24(14-23)28-19(3)36-25/h4-9,14,18,22,33H,10-13,15-17H2,1-3H3/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 950n/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria


Bioorg Med Chem Lett 14: 6017-21 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.077
More data for this
Ligand-Target Pair