BindingDB logo
myBDB logout

BDBM79655 1-({[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-4-phenylpiperazine::2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone::2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone::2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-phenylpiperazino)ethanone::MLS000116581::SMR000077413::cid_2155845

SMILES: O=C(CSc1nnc(COc2ccccc2)o1)N1CCN(CC1)c1ccccc1

InChI Key: InChIKey=PJFVAAIRYUDVRP-UHFFFAOYSA-N

Data: 1 EC50

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 = 79655   
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
Tropomyosin alpha-1 chain


(Sus scrofa)
BDBM79655
PNG
(1-({[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio}a...)
Show SMILES O=C(CSc1nnc(COc2ccccc2)o1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c26-20(25-13-11-24(12-14-25)17-7-3-1-4-8-17)16-29-21-23-22-19(28-21)15-27-18-9-5-2-6-10-18/h1-10H,11-16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.15E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair