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BDBM114608 1-(4-benzoxybenzyl)-4-(2-pyridyl)piperazine::1-[(4-phenylmethoxyphenyl)methyl]-4-(2-pyridinyl)piperazine::1-[(4-phenylmethoxyphenyl)methyl]-4-pyridin-2-yl-piperazine::1-[(4-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine::SR-01000676885::SR-01000676885-2::cid_1377542

SMILES: C(Oc1ccc(CN2CCN(CC2)c2ccccn2)cc1)c1ccccc1

InChI Key: InChIKey=LZDLWKCCZNFHJI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 114608   
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
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114608
PNG
(1-(4-benzoxybenzyl)-4-(2-pyridyl)piperazine | 1-[(...)
Show SMILES C(Oc1ccc(CN2CCN(CC2)c2ccccn2)cc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-2-6-21(7-3-1)19-27-22-11-9-20(10-12-22)18-25-14-16-26(17-15-25)23-8-4-5-13-24-23/h1-13H,14-19H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.61E+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 (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM114608
PNG
(1-(4-benzoxybenzyl)-4-(2-pyridyl)piperazine | 1-[(...)
Show SMILES C(Oc1ccc(CN2CCN(CC2)c2ccccn2)cc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-2-6-21(7-3-1)19-27-22-11-9-20(10-12-22)18-25-14-16-26(17-15-25)23-8-4-5-13-24-23/h1-13H,14-19H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2833QNG
More data for this
Ligand-Target Pair