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BDBM83387 1-(2-Methoxy-benzyl)-4-[3-methyl-1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine::1-[(2-methoxyphenyl)methyl]-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]piperazine;hydrochloride::1-[(2-methoxyphenyl)methyl]-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]butyl]piperazine;hydrochloride::1-[(2-methoxyphenyl)methyl]-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine;hydrochloride::1-[3-methyl-1-[1-(2-thenyl)tetrazol-5-yl]butyl]-4-o-anisyl-piperazine;hydrochloride::MLS000880419::SMR000005041::cid_6603071

SMILES: COc1ccccc1CN1CCN(CC1)C(CC(C)C)c1nnnn1Cc1cccs1

InChI Key: InChIKey=HWJWGPVXFJWHEX-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 = 83387   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM83387
PNG
(1-(2-Methoxy-benzyl)-4-[3-methyl-1-(1-thiophen-2-y...)
Show SMILES COc1ccccc1CN1CCN(CC1)C(CC(C)C)c1nnnn1Cc1cccs1
Show InChI InChI=1S/C23H32N6OS/c1-18(2)15-21(23-24-25-26-29(23)17-20-8-6-14-31-20)28-12-10-27(11-13-28)16-19-7-4-5-9-22(19)30-3/h4-9,14,18,21H,10-13,15-17H2,1-3H3
PDB

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Similars

PCBioAssay
n/an/an/an/a>9.25E+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/Q22V2DN3
More data for this
Ligand-Target Pair